메뉴 건너뛰기




Volumn 276, Issue 1, 2011, Pages 229-249

NL MIND-BEST: A web server for ligands and proteins discovery-Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

Author keywords

Drugs targets prediction; Ligands protein interaction; Markov model; Multi target QSAR; Protein structure networks

Indexed keywords

ALKALOID DERIVATIVE; ANTIMALARIAL AGENT; ANTIPARASITIC AGENT; APORPHINE DERIVATIVE; CLORSULON; CLOSANTEL; DIAMFENETIDE; DIETHYLCARBAMAZINE; IVERMECTIN; LEVAMISOLE; MEBENDAZOLE; PIPERAZINE; PRAZIQUANTEL; PROTEOME; PROTOZOAL PROTEIN;

EID: 79952327303     PISSN: 00225193     EISSN: 10958541     Source Type: Journal    
DOI: 10.1016/j.jtbi.2011.01.010     Document Type: Article
Times cited : (49)

References (151)
  • 2
    • 65249098338 scopus 로고    scopus 로고
    • Alignment-free prediction of polygalacturonases with pseudofolding topological indices: experimental isolation from Coffea arabica and prediction of a new sequence
    • Aguero-Chapin G., Varona-Santos J., de la Riva G.A., Antunes A., Gonzalez-Villa T., Uriarte E., Gonzalez-Diaz H. Alignment-free prediction of polygalacturonases with pseudofolding topological indices: experimental isolation from Coffea arabica and prediction of a new sequence. J. Proteome Res. 2009, 8:2122-2128.
    • (2009) J. Proteome Res. , vol.8 , pp. 2122-2128
    • Aguero-Chapin, G.1    Varona-Santos, J.2    de la Riva, G.A.3    Antunes, A.4    Gonzalez-Villa, T.5    Uriarte, E.6    Gonzalez-Diaz, H.7
  • 3
    • 31444455638 scopus 로고    scopus 로고
    • Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L
    • Agüero-Chapin G., Gonzalez-Diaz H., Molina R., Varona-Santos J., Uriarte E., Gonzalez-Diaz Y. Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L. FEBS Lett. 2006, 580:723-730.
    • (2006) FEBS Lett. , vol.580 , pp. 723-730
    • Agüero-Chapin, G.1    Gonzalez-Diaz, H.2    Molina, R.3    Varona-Santos, J.4    Uriarte, E.5    Gonzalez-Diaz, Y.6
  • 5
    • 45149120434 scopus 로고    scopus 로고
    • Cellular automata simulation of topological effects on the dynamics of feed-forward motifs
    • Apte A.A., Cain J.W., Bonchev D.G., Fong S.S. Cellular automata simulation of topological effects on the dynamics of feed-forward motifs. J. Biol. Eng. 2008, 2:2.
    • (2008) J. Biol. Eng. , vol.2 , pp. 2
    • Apte, A.A.1    Cain, J.W.2    Bonchev, D.G.3    Fong, S.S.4
  • 7
    • 17844365562 scopus 로고    scopus 로고
    • Sociology. Network theory-the emergence of the creative enterprise
    • Barabasi A.L. Sociology. Network theory-the emergence of the creative enterprise. Science 2005, 308:639-641.
    • (2005) Science , vol.308 , pp. 639-641
    • Barabasi, A.L.1
  • 8
    • 34547146985 scopus 로고    scopus 로고
    • Network medicine-from obesity to the "diseasome"
    • Barabasi A.L. Network medicine-from obesity to the "diseasome". N. Engl. J. Med. 2007, 357:404-407.
    • (2007) N. Engl. J. Med. , vol.357 , pp. 404-407
    • Barabasi, A.L.1
  • 9
    • 0742305866 scopus 로고    scopus 로고
    • Network biology: understanding the cell′s functional organization
    • Barabasi A.L., Oltvai Z.N. Network biology: understanding the cell′s functional organization. Nat. Rev. Genet. 2004, 5:101-113.
    • (2004) Nat. Rev. Genet. , vol.5 , pp. 101-113
    • Barabasi, A.L.1    Oltvai, Z.N.2
  • 11
    • 69849094133 scopus 로고    scopus 로고
    • Supervised prediction of drug-target interactions using bipartite local models
    • Bleakley K., Yamanishi Y. Supervised prediction of drug-target interactions using bipartite local models. Bioinformatics 2009, 25:2397-2403.
    • (2009) Bioinformatics , vol.25 , pp. 2397-2403
    • Bleakley, K.1    Yamanishi, Y.2
  • 12
    • 0141975919 scopus 로고    scopus 로고
    • On the complexity of directed biological networks
    • Bonchev D. On the complexity of directed biological networks. SAR QSAR Environ. Res. 2003, 14:199-214.
    • (2003) SAR QSAR Environ. Res. , vol.14 , pp. 199-214
    • Bonchev, D.1
  • 13
    • 34250820586 scopus 로고    scopus 로고
    • Complexity analysis of yeast proteome network
    • Bonchev D. Complexity analysis of yeast proteome network. Chem. Biodivers. 2004, 1:312-326.
    • (2004) Chem. Biodivers. , vol.1 , pp. 312-326
    • Bonchev, D.1
  • 14
    • 34250835708 scopus 로고    scopus 로고
    • From molecular to biological structure and back
    • Bonchev D., Buck G.A. From molecular to biological structure and back. J. Chem. Inf. Model. 2007, 47:909-917.
    • (2007) J. Chem. Inf. Model. , vol.47 , pp. 909-917
    • Bonchev, D.1    Buck, G.A.2
  • 15
    • 77951446073 scopus 로고    scopus 로고
    • Cellular automata modelling of biomolecular networks dynamics, SAR QSAR
    • Bonchev D., Thomas S., Apte A., Kier L.B. Cellular automata modelling of biomolecular networks dynamics, SAR QSAR. Environ. Res. 2010, 21:77-102.
    • (2010) Environ. Res. , vol.21 , pp. 77-102
    • Bonchev, D.1    Thomas, S.2    Apte, A.3    Kier, L.B.4
  • 18
    • 30744458142 scopus 로고    scopus 로고
    • Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks
    • Caballero J., Fernandez M. Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks. J. Mol. Model. 2006, 12:168-181.
    • (2006) J. Mol. Model. , vol.12 , pp. 168-181
    • Caballero, J.1    Fernandez, M.2
  • 19
    • 0005796869 scopus 로고    scopus 로고
    • Oxoaporphine alkaloids and quinones from Stephania dinklagei and evaluation of their antiprotozoal activities
    • Camacho M.R., Kirby G.C., Warhurst D.C., Croft S.L., Phillipson J.D. Oxoaporphine alkaloids and quinones from Stephania dinklagei and evaluation of their antiprotozoal activities. Planta Med. 2000, 66:478-480.
    • (2000) Planta Med. , vol.66 , pp. 478-480
    • Camacho, M.R.1    Kirby, G.C.2    Warhurst, D.C.3    Croft, S.L.4    Phillipson, J.D.5
  • 20
    • 47249146126 scopus 로고    scopus 로고
    • Drug target identification using side-effect similarity
    • Campillos M., Kuhn M., Gavin A.C., Jensen L.J., Bork P. Drug target identification using side-effect similarity. Science 2008, 321:263-266.
    • (2008) Science , vol.321 , pp. 263-266
    • Campillos, M.1    Kuhn, M.2    Gavin, A.C.3    Jensen, L.J.4    Bork, P.5
  • 22
    • 23944438427 scopus 로고    scopus 로고
    • Prediction of G-protein-coupled receptor classes
    • Chou K.C. Prediction of G-protein-coupled receptor classes. J. Proteome Res. 2005, 4:1413-1418.
    • (2005) J. Proteome Res. , vol.4 , pp. 1413-1418
    • Chou, K.C.1
  • 23
    • 0036767228 scopus 로고    scopus 로고
    • Bioinformatical analysis of G-protein-coupled receptors
    • Chou K.C., Elrod D.W. Bioinformatical analysis of G-protein-coupled receptors. J. Proteome Res. 2002, 1:429-433.
    • (2002) J. Proteome Res. , vol.1 , pp. 429-433
    • Chou, K.C.1    Elrod, D.W.2
  • 24
    • 0037783143 scopus 로고    scopus 로고
    • Prediction of enzyme family classes
    • Chou K.C., Elrod D.W. Prediction of enzyme family classes. J. Proteome Res. 2003, 2:183-190.
    • (2003) J. Proteome Res. , vol.2 , pp. 183-190
    • Chou, K.C.1    Elrod, D.W.2
  • 25
    • 33747197197 scopus 로고    scopus 로고
    • Predicting eukaryotic protein subcellular location by fusing optimized evidence-theoretic K-nearest neighbor classifiers
    • Chou K.C., Shen H.B. Predicting eukaryotic protein subcellular location by fusing optimized evidence-theoretic K-nearest neighbor classifiers. J. Proteome Res. 2006, 5:1888-1897.
    • (2006) J. Proteome Res. , vol.5 , pp. 1888-1897
    • Chou, K.C.1    Shen, H.B.2
  • 26
    • 33845423991 scopus 로고    scopus 로고
    • Large-scale predictions of Gram-negative bacterial protein subcellular locations
    • Chou K.C., Shen H.B. Large-scale predictions of Gram-negative bacterial protein subcellular locations. J. Proteome Res. 2006, 5:3420-3428.
    • (2006) J. Proteome Res. , vol.5 , pp. 3420-3428
    • Chou, K.C.1    Shen, H.B.2
  • 27
    • 34447095147 scopus 로고    scopus 로고
    • MemType-2L: a web server for predicting membrane proteins and their types by incorporating evolution information through Pse-PSSM. Biochem. Biophys. Res. Commun., doi: 10.1016/j.bbrc.2007.1006.1027.
    • Chou, K.C., Shen, H.B., 2007. MemType-2L: a web server for predicting membrane proteins and their types by incorporating evolution information through Pse-PSSM. Biochem. Biophys. Res. Commun., doi: 10.1016/j.bbrc.2007.1006.1027.
    • (2007)
    • Chou, K.C.1    Shen, H.B.2
  • 28
    • 39449105071 scopus 로고    scopus 로고
    • Cell-PLoc: a package of Web servers for predicting subcellular localization of proteins in various organisms
    • Chou K.C., Shen H.B. Cell-PLoc: a package of Web servers for predicting subcellular localization of proteins in various organisms. Nat. Protoc. 2008, 3:153-162.
    • (2008) Nat. Protoc. , vol.3 , pp. 153-162
    • Chou, K.C.1    Shen, H.B.2
  • 30
    • 67650113056 scopus 로고    scopus 로고
    • Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials
    • Concu R., Podda G., Uriarte E., Gonzalez-Diaz H. Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials. J. Comput. Chem. 2009, 30:1510-1520.
    • (2009) J. Comput. Chem. , vol.30 , pp. 1510-1520
    • Concu, R.1    Podda, G.2    Uriarte, E.3    Gonzalez-Diaz, H.4
  • 31
    • 77957961031 scopus 로고    scopus 로고
    • Review of QSAR models for enzyme classes of drug targets: theoretical background and applications in parasites, hosts, and other organisms
    • Concu R., Podda G., Ubeira F.M., Gonzalez-Diaz H. Review of QSAR models for enzyme classes of drug targets: theoretical background and applications in parasites, hosts, and other organisms. Curr. Pharm. Des. 2010, 16:2710-2723.
    • (2010) Curr. Pharm. Des. , vol.16 , pp. 2710-2723
    • Concu, R.1    Podda, G.2    Ubeira, F.M.3    Gonzalez-Diaz, H.4
  • 34
    • 0030513328 scopus 로고    scopus 로고
    • Molecular biology and electrophysiology of glutamate-gated chloride channels of invertebrates
    • Cully D.F., Wilkinson H., Vassilatis D.K., Etter A., Arena J.P. Molecular biology and electrophysiology of glutamate-gated chloride channels of invertebrates. Parasitology 1996, 113(Suppl.):S191-S200.
    • (1996) Parasitology , vol.113 , Issue.SUPPL.
    • Cully, D.F.1    Wilkinson, H.2    Vassilatis, D.K.3    Etter, A.4    Arena, J.P.5
  • 35
    • 23844468089 scopus 로고    scopus 로고
    • Two-dimensional electrophoresis and mass spectrometry for the identification of species-specific Trichinella antigens
    • Dea-Ayuela M.A., Bolás-Fernández F. Two-dimensional electrophoresis and mass spectrometry for the identification of species-specific Trichinella antigens. Vet. Parasitol. 2005, 132:43-49.
    • (2005) Vet. Parasitol. , vol.132 , pp. 43-49
    • Dea-Ayuela, M.A.1    Bolás-Fernández, F.2
  • 36
    • 49149091399 scopus 로고    scopus 로고
    • HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
    • Dea-Ayuela M.A., Perez-Castillo Y., Meneses-Marcel A., Ubeira F.M., Bolas-Fernandez F., Chou K.C., Gonzalez-Diaz H. HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence. Bioorg. Med. Chem. 2008, 16:7770-7776.
    • (2008) Bioorg. Med. Chem. , vol.16 , pp. 7770-7776
    • Dea-Ayuela, M.A.1    Perez-Castillo, Y.2    Meneses-Marcel, A.3    Ubeira, F.M.4    Bolas-Fernandez, F.5    Chou, K.C.6    Gonzalez-Diaz, H.7
  • 37
    • 34548587312 scopus 로고    scopus 로고
    • Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO
    • Dufe V.T., Qiu W., Muller I.B., Hui R., Walter R.D., Al-Karadaghi S. Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO. J Mol Biol 2007, 373:167-177.
    • (2007) J Mol Biol , vol.373 , pp. 167-177
    • Dufe, V.T.1    Qiu, W.2    Muller, I.B.3    Hui, R.4    Walter, R.D.5    Al-Karadaghi, S.6
  • 38
    • 0019559171 scopus 로고
    • Protection of Fasciola hepatica against flukicidal action of the amine of diamphenethide in vitro
    • Edwards S.R., Campbell A.J., Sheers M., Moore R.J., Montague P.E. Protection of Fasciola hepatica against flukicidal action of the amine of diamphenethide in vitro. Mol. Biochem. Parasitol. 1981, 2:339-348.
    • (1981) Mol. Biochem. Parasitol. , vol.2 , pp. 339-348
    • Edwards, S.R.1    Campbell, A.J.2    Sheers, M.3    Moore, R.J.4    Montague, P.E.5
  • 39
  • 40
    • 33748304130 scopus 로고    scopus 로고
    • Protein bipartivity and essentiality in the yeast protein-protein interaction network
    • Estrada E. Protein bipartivity and essentiality in the yeast protein-protein interaction network. J. Proteome Res. 2006, 5:2177-2184.
    • (2006) J. Proteome Res. , vol.5 , pp. 2177-2184
    • Estrada, E.1
  • 42
    • 0030018421 scopus 로고    scopus 로고
    • Activation and cooperative multi-ion block of single nicotinic-acetylcholine channel currents of Ascaris muscle by the tetrahydropyrimidine anthelmintic, morantel
    • Evans A.M., Martin R.J. Activation and cooperative multi-ion block of single nicotinic-acetylcholine channel currents of Ascaris muscle by the tetrahydropyrimidine anthelmintic, morantel. Br. J. Pharmacol. 1996, 118:1127-1140.
    • (1996) Br. J. Pharmacol. , vol.118 , pp. 1127-1140
    • Evans, A.M.1    Martin, R.J.2
  • 43
    • 33646186011 scopus 로고    scopus 로고
    • Linear and nonlinear QSAR study of N-hydroxy-2-[(phenylsulfonyl)amino]acetamide derivatives as matrix metalloproteinase inhibitors
    • Fernandez M., Caballero J., Tundidor-Camba A. Linear and nonlinear QSAR study of N-hydroxy-2-[(phenylsulfonyl)amino]acetamide derivatives as matrix metalloproteinase inhibitors. Bioorg. Med. Chem. 2006, 14:4137-4150.
    • (2006) Bioorg. Med. Chem. , vol.14 , pp. 4137-4150
    • Fernandez, M.1    Caballero, J.2    Tundidor-Camba, A.3
  • 44
    • 0013783227 scopus 로고
    • On the problem of the minimal inhibitory concentration (MIC) of oxacillin against staphylococci
    • Fink H. On the problem of the minimal inhibitory concentration (MIC) of oxacillin against staphylococci. Arzneim-Forsch 1965, 15:630-632.
    • (1965) Arzneim-Forsch , vol.15 , pp. 630-632
    • Fink, H.1
  • 46
    • 0027335950 scopus 로고
    • HyperChem: a software package for computational chemistry and molecular modeling
    • Froimowitz M. HyperChem: a software package for computational chemistry and molecular modeling. BioTechniques 1993, 14:1010-1013.
    • (1993) BioTechniques , vol.14 , pp. 1010-1013
    • Froimowitz, M.1
  • 47
    • 66149090260 scopus 로고    scopus 로고
    • Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors
    • Geppert H., Humrich J., Stumpfe D., Gartner T., Bajorath J. Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors. J. Chem. Inf. Model. 2009, 49:767-779.
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 767-779
    • Geppert, H.1    Humrich, J.2    Stumpfe, D.3    Gartner, T.4    Bajorath, J.5
  • 48
    • 0032961627 scopus 로고    scopus 로고
    • Mass spectrometric identification of proteins from silver-stained polyacrylamide gel: a method for the removal of silver ions to enhance sensitivity
    • Gharahdaghi F., Weinberg C.R., Meagher D.A., Imai B.S., Mische S.M. Mass spectrometric identification of proteins from silver-stained polyacrylamide gel: a method for the removal of silver ions to enhance sensitivity. Electrophoresis 1999, 20:601-605.
    • (1999) Electrophoresis , vol.20 , pp. 601-605
    • Gharahdaghi, F.1    Weinberg, C.R.2    Meagher, D.A.3    Imai, B.S.4    Mische, S.M.5
  • 51
    • 76749148159 scopus 로고    scopus 로고
    • Collective motions and specific effectors: a statistical mechanics perspective on biological regulation. BMC Genomics doi.
    • Giuliani, A., 2010. Collective motions and specific effectors: a statistical mechanics perspective on biological regulation. BMC Genomics 11 (Suppl. 1), S2. doi:. http://10.1186/1471-2164-11-S1-S2.
    • (2010) , vol.11 , Issue.SUPPL. 1
    • Giuliani, A.1
  • 53
    • 77953304189 scopus 로고    scopus 로고
    • Network topological indices, drug metabolism, and distribution
    • Gonzalez-Diaz H. Network topological indices, drug metabolism, and distribution. Curr. Drug Metab. 2010, 11:283-284.
    • (2010) Curr. Drug Metab. , vol.11 , pp. 283-284
    • Gonzalez-Diaz, H.1
  • 54
    • 59149084486 scopus 로고    scopus 로고
    • Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach
    • Gonzalez-Diaz H., Prado-Prado F., Ubeira F.M. Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Curr. Top. Med. Chem. 2008, 8:1676-1690.
    • (2008) Curr. Top. Med. Chem. , vol.8 , pp. 1676-1690
    • Gonzalez-Diaz, H.1    Prado-Prado, F.2    Ubeira, F.M.3
  • 55
    • 33847420914 scopus 로고    scopus 로고
    • A model for the recognition of protein kinases based on the entropy of 3D van der Waals interactions
    • Gonzalez-Diaz H., Saiz-Urra L., Molina R., Santana L., Uriarte E. A model for the recognition of protein kinases based on the entropy of 3D van der Waals interactions. J. Proteome Res. 2007, 6:904-908.
    • (2007) J. Proteome Res. , vol.6 , pp. 904-908
    • Gonzalez-Diaz, H.1    Saiz-Urra, L.2    Molina, R.3    Santana, L.4    Uriarte, E.5
  • 57
    • 77957949263 scopus 로고    scopus 로고
    • QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology
    • González-Díaz H. QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology. Cancer Neurosci. Curr. Pharm. Des. 2010, 16:2598-2600.
    • (2010) Cancer Neurosci. Curr. Pharm. Des. , vol.16 , pp. 2598-2600
    • González-Díaz, H.1
  • 58
    • 34447254270 scopus 로고    scopus 로고
    • Medicinal chemistry and bioinformatics-current trends in drugs discovery with networks topological indices
    • González-Díaz H., Vilar S., Santana L., Uriarte E. Medicinal chemistry and bioinformatics-current trends in drugs discovery with networks topological indices. Curr. Top. Med. Chem. 2007, 7:1025-1039.
    • (2007) Curr. Top. Med. Chem. , vol.7 , pp. 1025-1039
    • González-Díaz, H.1    Vilar, S.2    Santana, L.3    Uriarte, E.4
  • 59
    • 34547347534 scopus 로고    scopus 로고
    • Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices
    • González-Díaz H., Pérez-Castillo Y., Podda G., Uriarte E. Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices. J. Comput. Chem. 2007, 28:1990-1995.
    • (2007) J. Comput. Chem. , vol.28 , pp. 1990-1995
    • González-Díaz, H.1    Pérez-Castillo, Y.2    Podda, G.3    Uriarte, E.4
  • 61
    • 19544379174 scopus 로고    scopus 로고
    • 2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L
    • González-Díaz H., Aguero-Chapin G., Varona-Santos J., Molina R., de la Riva G., Uriarte E. 2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L. Bioorg. Med. Chem. Lett. 2005, 15:2932-2937.
    • (2005) Bioorg. Med. Chem. Lett. , vol.15 , pp. 2932-2937
    • González-Díaz, H.1    Aguero-Chapin, G.2    Varona-Santos, J.3    Molina, R.4    de la Riva, G.5    Uriarte, E.6
  • 63
    • 33750125547 scopus 로고    scopus 로고
    • Recent progresses in the application of machine learning approach for predicting protein functional class independent of sequence similarity. Proteomics
    • Han, L., Cui, J., Lin, H., Ji, Z., Cao, Z., Li, Y., Chen, Y., 2006. Recent progresses in the application of machine learning approach for predicting protein functional class independent of sequence similarity. Proteomics 6, 4023-4037.
    • (2006) , Issue.6 , pp. 4023-4037
    • Han, L.1    Cui, J.2    Lin, H.3    Ji, Z.4    Cao, Z.5    Li, Y.6    Chen, Y.7
  • 65
    • 0027286502 scopus 로고
    • MASCOT: multiple alignment system for protein sequences based on three-way dynamic programming
    • Hirosawa M., Hoshida M., Ishikawa M., Toya T. MASCOT: multiple alignment system for protein sequences based on three-way dynamic programming. Comput. Appl. Biosci. 1993, 9:161-167.
    • (1993) Comput. Appl. Biosci. , vol.9 , pp. 161-167
    • Hirosawa, M.1    Hoshida, M.2    Ishikawa, M.3    Toya, T.4
  • 66
    • 59149084486 scopus 로고    scopus 로고
    • Predicting antimicrobial drugs and targets with the MARCH INSIDE approach
    • Humberto González-Díaz F.P.-P.A.F.M.U. Predicting antimicrobial drugs and targets with the MARCH INSIDE approach. Curr. Top. Med. Chem. 2008, 8:1676-1690.
    • (2008) Curr. Top. Med. Chem. , vol.8 , pp. 1676-1690
    • Humberto González-Díaz, F.P.-P.A.F.M.U.1
  • 67
    • 79953161587 scopus 로고    scopus 로고
    • Hyperchem 7.0, Gainesville, FL, USA
    • Hypercube, I., 2002. Hyperchem 7.0, Gainesville, FL, USA.
    • (2002)
    • Hypercube, I.1
  • 69
    • 16844375302 scopus 로고    scopus 로고
    • Modeling biochemical networks: a cellular-automata approach
    • Kier L.B., Bonchev D., Buck G.A. Modeling biochemical networks: a cellular-automata approach. Chem. Biodivers. 2005, 2:233-243.
    • (2005) Chem. Biodivers. , vol.2 , pp. 233-243
    • Kier, L.B.1    Bonchev, D.2    Buck, G.A.3
  • 71
    • 3242730615 scopus 로고    scopus 로고
    • Comparison of methods based on diversity and similarity for molecule selection and the analysis of drug discovery data
    • Lam R.L., Welch W.J. Comparison of methods based on diversity and similarity for molecule selection and the analysis of drug discovery data. Methods Mol. Biol. 2004, 275:301-316.
    • (2004) Methods Mol. Biol. , vol.275 , pp. 301-316
    • Lam, R.L.1    Welch, W.J.2
  • 72
    • 28644445655 scopus 로고    scopus 로고
    • A two-dimensional electrophoresis proteomic reference map and systematic identification of 1367 proteins from a cell suspension culture of the model legume Medicago truncatula
    • Lei Z., Elmer A.M., Watson B.S., Dixon R.A., Mendes P.J., Sumner L.W. A two-dimensional electrophoresis proteomic reference map and systematic identification of 1367 proteins from a cell suspension culture of the model legume Medicago truncatula. Mol. Cell Proteomics 2005, 4:1812-1825.
    • (2005) Mol. Cell Proteomics , vol.4 , pp. 1812-1825
    • Lei, Z.1    Elmer, A.M.2    Watson, B.S.3    Dixon, R.A.4    Mendes, P.J.5    Sumner, L.W.6
  • 73
    • 23844434920 scopus 로고    scopus 로고
    • A novel strategy using MASCOT distiller for analysis of cleavable isotope-coded affinity tag data to quantify protein changes in plasma. Proteomics
    • Leung, K.Y., Lescuyer, P.,Campbell, J., Byers, H.L., Allard, L., Sanchez, J.C., Ward, M.A., 2005. A novel strategy using MASCOT distiller for analysis of cleavable isotope-coded affinity tag data to quantify protein changes in plasma. Proteomics 5, 3040-3044.
    • (2005) , Issue.5 , pp. 3040-3044
    • Leung, K.Y.1    Lescuyer, P.2    Campbell, J.3    Byers, H.L.4    Allard, L.5    Sanchez, J.C.6    Ward, M.A.7
  • 74
    • 56949090293 scopus 로고    scopus 로고
    • QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling
    • Li J., Lei B., Liu H., Li S., Yao X., Liu M., Gramatica P. QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling. J. Comput. Chem. 2008, 29:2636-2647.
    • (2008) J. Comput. Chem. , vol.29 , pp. 2636-2647
    • Li, J.1    Lei, B.2    Liu, H.3    Li, S.4    Yao, X.5    Liu, M.6    Gramatica, P.7
  • 75
    • 36349010717 scopus 로고    scopus 로고
    • Prediction of potential drug targets based on simple sequence properties
    • Li Q., Lai L. Prediction of potential drug targets based on simple sequence properties. BMC Bioinformatics 2007, 8:353.
    • (2007) BMC Bioinformatics , vol.8 , pp. 353
    • Li, Q.1    Lai, L.2
  • 77
    • 70350448693 scopus 로고    scopus 로고
    • GPCR-GIA: a web-server for identifying G-protein coupled receptors and their families with grey incidence analysis
    • Lin W.Z., Xiao X., Chou K.C. GPCR-GIA: a web-server for identifying G-protein coupled receptors and their families with grey incidence analysis. Protein Eng. Des. Sel. 2009, 22:699-705.
    • (2009) Protein Eng. Des. Sel. , vol.22 , pp. 699-705
    • Lin, W.Z.1    Xiao, X.2    Chou, K.C.3
  • 78
    • 0036137805 scopus 로고    scopus 로고
    • Exploratory studies of ab initio protein structure prediction: multiple copy simulated annealing, AMBER energy functions, and a generalized born/solvent accessibility solvation model
    • Liu Y., Beveridge D.L. Exploratory studies of ab initio protein structure prediction: multiple copy simulated annealing, AMBER energy functions, and a generalized born/solvent accessibility solvation model. Proteins 2002, 46:128-146.
    • (2002) Proteins , vol.46 , pp. 128-146
    • Liu, Y.1    Beveridge, D.L.2
  • 79
    • 34447521460 scopus 로고    scopus 로고
    • Human disease classification in the postgenomic era: a complex systems approach to human pathobiology
    • Loscalzo J., Kohane I., Barabasi A.L. Human disease classification in the postgenomic era: a complex systems approach to human pathobiology. Mol. Syst. Biol. 2007, 3:124.
    • (2007) Mol. Syst. Biol. , vol.3 , pp. 124
    • Loscalzo, J.1    Kohane, I.2    Barabasi, A.L.3
  • 81
    • 0027034415 scopus 로고
    • Diethylcarbamazine (DEC): immunopharmacological interactions of an anti-filarial drug
    • Maizels R.M., Denham D.A. Diethylcarbamazine (DEC): immunopharmacological interactions of an anti-filarial drug. Parasitology 1992, 105(Suppl.):S49-S60.
    • (1992) Parasitology , vol.105 , Issue.SUPPL.
    • Maizels, R.M.1    Denham, D.A.2
  • 83
    • 3242887157 scopus 로고    scopus 로고
    • CD-search: protein domain annotations on the fly
    • Marchler-Bauer A., Bryant S.H. CD-search: protein domain annotations on the fly. Nucleic Acids Res. 2004, 32:W327-W331.
    • (2004) Nucleic Acids Res. , vol.32
    • Marchler-Bauer, A.1    Bryant, S.H.2
  • 84
    • 0021995752 scopus 로고
    • Gamma-aminobutyric acid- and piperazine-activated single-channel currents from Ascaris suum body muscle
    • Martin R.J. Gamma-aminobutyric acid- and piperazine-activated single-channel currents from Ascaris suum body muscle. Br. J. Pharmacol. 1985, 84:445-461.
    • (1985) Br. J. Pharmacol. , vol.84 , pp. 445-461
    • Martin, R.J.1
  • 85
    • 0027326560 scopus 로고
    • Neuromuscular transmission in nematode parasites and antinematodal drug action
    • Martin R.J. Neuromuscular transmission in nematode parasites and antinematodal drug action. Pharmacol. Ther. 1993, 58:13-50.
    • (1993) Pharmacol. Ther. , vol.58 , pp. 13-50
    • Martin, R.J.1
  • 86
    • 0030066574 scopus 로고    scopus 로고
    • An electrophysiological preparation of Ascaris suum pharyngeal muscle reveals a glutamate-gated chloride channel sensitive to the avermectin analogue, milbemycin D
    • Martin R.J. An electrophysiological preparation of Ascaris suum pharyngeal muscle reveals a glutamate-gated chloride channel sensitive to the avermectin analogue, milbemycin D. Parasitology 1996, 112(Part 2):247-252.
    • (1996) Parasitology , vol.112 , Issue.PART 2 , pp. 247-252
    • Martin, R.J.1
  • 87
    • 49449102281 scopus 로고    scopus 로고
    • Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition
    • Mascarenhas N.M., Ghoshal N. Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition. J. Chem. Inf. Model. 2008, 48:1325-1336.
    • (2008) J. Chem. Inf. Model. , vol.48 , pp. 1325-1336
    • Mascarenhas, N.M.1    Ghoshal, N.2
  • 88
    • 55749096609 scopus 로고    scopus 로고
    • Phylogenetic distances are encoded in networks of interacting pathways
    • Mazurie A., Bonchev D., Schwikowski B., Buck G.A. Phylogenetic distances are encoded in networks of interacting pathways. Bioinformatics 2008, 24:2579-2585.
    • (2008) Bioinformatics , vol.24 , pp. 2579-2585
    • Mazurie, A.1    Bonchev, D.2    Schwikowski, B.3    Buck, G.A.4
  • 92
    • 33845493850 scopus 로고    scopus 로고
    • Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?
    • Michel J., Verdonk M.L., Essex J.W. Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?. J. Med. Chem. 2006, 49:7427-7439.
    • (2006) J. Med. Chem. , vol.49 , pp. 7427-7439
    • Michel, J.1    Verdonk, M.L.2    Essex, J.W.3
  • 93
  • 94
    • 78751553104 scopus 로고    scopus 로고
    • Mechanisms of amiodarone and desethylamiodarone cytotoxicity in non-transformed human peripheral lung epithelial cells. J. Pharmacol. Exp. Ther
    • Mulder, J.E., Brien, J.F., Racz, W.J.,Takahashi, T., Massey, T.E., 2011. Mechanisms of amiodarone and desethylamiodarone cytotoxicity in non-transformed human peripheral lung epithelial cells. J. Pharmacol. Exp. Ther. 336, 551-559.
    • (2011) , vol.336 , pp. 551-559
    • Mulder, J.E.1    Brien, J.F.2    Racz, W.J.3    Takahashi, T.4    Massey, T.E.5
  • 95
    • 0032994522 scopus 로고    scopus 로고
    • Antimalarial activity and cytotoxicity of (-)-roemrefidine isolated from the stem bark of Sparattanthelium amazonum
    • Munoz V., Sauvain M., Mollinedo P., Callapa J., Rojas I., Gimenez A., Valentin A., Mallie M. Antimalarial activity and cytotoxicity of (-)-roemrefidine isolated from the stem bark of Sparattanthelium amazonum. Planta Med. 1999, 65:448-449.
    • (1999) Planta Med. , vol.65 , pp. 448-449
    • Munoz, V.1    Sauvain, M.2    Mollinedo, P.3    Callapa, J.4    Rojas, I.5    Gimenez, A.6    Valentin, A.7    Mallie, M.8
  • 97
    • 0037030707 scopus 로고    scopus 로고
    • Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes
    • Naumann T., Matter H. Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. J. Med. Chem. 2002, 45:2366-2378.
    • (2002) J. Med. Chem. , vol.45 , pp. 2366-2378
    • Naumann, T.1    Matter, H.2
  • 99
    • 36749079345 scopus 로고    scopus 로고
    • Distribution of node characteristics in complex networks
    • Park J., Barabasi A.L. Distribution of node characteristics in complex networks. Proc. Natl. Acad. Sci. USA 2007, 104:17916-17920.
    • (2007) Proc. Natl. Acad. Sci. USA , vol.104 , pp. 17916-17920
    • Park, J.1    Barabasi, A.L.2
  • 100
    • 0347291894 scopus 로고
    • Absolute hardness: companion parameter to absolute electronegativity
    • Parr R.G., Pearson R.G. Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc. 1983, 105:7512-7516.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512-7516
    • Parr, R.G.1    Pearson, R.G.2
  • 104
    • 33646740651 scopus 로고    scopus 로고
    • Parameter estimation for scoring protein-ligand interactions using negative training data
    • Pham T.A., Jain A.N. Parameter estimation for scoring protein-ligand interactions using negative training data. J. Med. Chem. 2006, 49:5856-5868.
    • (2006) J. Med. Chem. , vol.49 , pp. 5856-5868
    • Pham, T.A.1    Jain, A.N.2
  • 105
    • 77649235082 scopus 로고    scopus 로고
    • Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species
    • Prado-Prado F.J., Garcia-Mera X., Gonzalez-Diaz H. Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species. Bioorg. Med. Chem. 2010, 18:2225-2231.
    • (2010) Bioorg. Med. Chem. , vol.18 , pp. 2225-2231
    • Prado-Prado, F.J.1    Garcia-Mera, X.2    Gonzalez-Diaz, H.3
  • 107
    • 44449088493 scopus 로고    scopus 로고
    • Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds
    • Prado-Prado F.J., Gonzalez-Diaz H., de la Vega O.M., Ubeira F.M., Chou K.C. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds. Bioorg. Med. Chem. 2008, 16:5871-5880.
    • (2008) Bioorg. Med. Chem. , vol.16 , pp. 5871-5880
    • Prado-Prado, F.J.1    Gonzalez-Diaz, H.2    de la Vega, O.M.3    Ubeira, F.M.4    Chou, K.C.5
  • 108
    • 58749107670 scopus 로고    scopus 로고
    • Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks
    • Prado-Prado F.J., Martinez de la Vega O., Uriarte E., Ubeira F.M., Chou K.C., Gonzalez-Diaz H. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks. Bioorg. Med. Chem. 2009, 17:569-575.
    • (2009) Bioorg. Med. Chem. , vol.17 , pp. 569-575
    • Prado-Prado, F.J.1    Martinez de la Vega, O.2    Uriarte, E.3    Ubeira, F.M.4    Chou, K.C.5    Gonzalez-Diaz, H.6
  • 111
    • 0036013593 scopus 로고    scopus 로고
    • Statistical mechanics of complex networks
    • Réka A., Barabasi A.-L. Statistical mechanics of complex networks. Rev. Mod. Phys. 2002, 74:47-97.
    • (2002) Rev. Mod. Phys. , vol.74 , pp. 47-97
    • Réka, A.1    Barabasi, A.-L.2
  • 112
    • 0027387031 scopus 로고
    • Levamisole-activated single-channel currents from muscle of the nematode parasite Ascaris suum
    • Robertson S.J., Martin R.J. Levamisole-activated single-channel currents from muscle of the nematode parasite Ascaris suum. Br. J. Pharmacol. 1993, 108:170-178.
    • (1993) Br. J. Pharmacol. , vol.108 , pp. 170-178
    • Robertson, S.J.1    Martin, R.J.2
  • 113
    • 76149112596 scopus 로고    scopus 로고
    • Trypano-PPI: a web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions. J. Proteome Res., doi: 10.1021/pr900827b
    • Rodriguez-Soca, Y., Munteanu, C.R., Prado-Prado, F.J., Dorado, J., Pazos Sierra, A., Gonzalez-Diaz, H., 2009a. Trypano-PPI: a web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions. J. Proteome Res., doi: 10.1021/pr900827b.
    • (2009)
    • Rodriguez-Soca, Y.1    Munteanu, C.R.2    Prado-Prado, F.J.3    Dorado, J.4    Pazos Sierra, A.5    Gonzalez-Diaz, H.6
  • 114
    • 72249103200 scopus 로고    scopus 로고
    • Plasmod-PPI: a web-server predicting complex biopolymer targets in plasmodium with entropy measures of protein-protein interactions. Polymer, doi: 10.1016/j.polymer.2009.11.029.
    • Rodriguez-Soca, Y., Munteanu, C.R., Dorado, J., Rabuñal, J., Pazos, A., González-Díaz, 2009b. Plasmod-PPI: a web-server predicting complex biopolymer targets in plasmodium with entropy measures of protein-protein interactions. Polymer, doi: 10.1016/j.polymer.2009.11.029.
    • (2009)
    • Rodriguez-Soca, Y.1    Munteanu, C.R.2    Dorado, J.3    Rabuñal, J.4    Pazos, A.5    González-Díaz6
  • 115
    • 76149112596 scopus 로고    scopus 로고
    • Trypano-PPI: a web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions
    • Rodriguez-Soca Y., Munteanu C.R., Dorado J., Pazos A., Prado-Prado F.J., Gonzalez-Diaz H. Trypano-PPI: a web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions. J Proteome Res. 2010, 9:1182-1190.
    • (2010) J Proteome Res. , vol.9 , pp. 1182-1190
    • Rodriguez-Soca, Y.1    Munteanu, C.R.2    Dorado, J.3    Pazos, A.4    Prado-Prado, F.J.5    Gonzalez-Diaz, H.6
  • 116
    • 0028927176 scopus 로고
    • New genetic and practical implications of selection for anthelmintic resistance in parasitic nematodes
    • Roos M.H., Kwa M.S.G., Grant W.N. New genetic and practical implications of selection for anthelmintic resistance in parasitic nematodes. Parasitol. Today 1995, 11:148-150.
    • (1995) Parasitol. Today , vol.11 , pp. 148-150
    • Roos, M.H.1    Kwa, M.S.G.2    Grant, W.N.3
  • 117
    • 23944477893 scopus 로고    scopus 로고
    • Large scale analysis of MASCOT results using a Mass Accuracy-based THreshold (MATH) effectively improves data interpretation
    • Rudnick P.A., Wang Y., Evans E., Lee C.S., Balgley B.M. Large scale analysis of MASCOT results using a Mass Accuracy-based THreshold (MATH) effectively improves data interpretation. J. Proteome Res. 2005, 4:1353-1360.
    • (2005) J. Proteome Res. , vol.4 , pp. 1353-1360
    • Rudnick, P.A.1    Wang, Y.2    Evans, E.3    Lee, C.S.4    Balgley, B.M.5
  • 118
    • 32344446616 scopus 로고    scopus 로고
    • A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins
    • Santana L., Uriarte E., Gonzalez-Diaz H., Zagotto G., Soto-Otero R., Mendez-Alvarez E. A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J. Med. Chem. 2006, 49:1149-1156.
    • (2006) J. Med. Chem. , vol.49 , pp. 1149-1156
    • Santana, L.1    Uriarte, E.2    Gonzalez-Diaz, H.3    Zagotto, G.4    Soto-Otero, R.5    Mendez-Alvarez, E.6
  • 119
    • 32344446616 scopus 로고    scopus 로고
    • A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins
    • Santana L., Uriarte E., Gonzalez-Diaz H., Zagotto G., Soto-Otero R., Mendez-Alvarez E. A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J. Med. Chem. 2006, 49:1149-1156.
    • (2006) J. Med. Chem. , vol.49 , pp. 1149-1156
    • Santana, L.1    Uriarte, E.2    Gonzalez-Diaz, H.3    Zagotto, G.4    Soto-Otero, R.5    Mendez-Alvarez, E.6
  • 120
    • 56249083925 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship and complex network approach to monoamine oxidase a and B inhibitors
    • Santana L., Gonzalez-Diaz H., Quezada E., Uriarte E., Yanez M., Vina D., Orallo F. Quantitative structure-activity relationship and complex network approach to monoamine oxidase a and B inhibitors. J. Med. Chem. 2008, 51:6740-6751.
    • (2008) J. Med. Chem. , vol.51 , pp. 6740-6751
    • Santana, L.1    Gonzalez-Diaz, H.2    Quezada, E.3    Uriarte, E.4    Yanez, M.5    Vina, D.6    Orallo, F.7
  • 121
    • 0020110927 scopus 로고
    • Mechanism of action of MK-401 against Fasciola hepatica: inhibition of phosphoglycerate kinase
    • Schulman M.D., Ostlind D.A., Valentino D. Mechanism of action of MK-401 against Fasciola hepatica: inhibition of phosphoglycerate kinase. Mol. Biochem. Parasitol. 1982, 5:133-145.
    • (1982) Mol. Biochem. Parasitol. , vol.5 , pp. 133-145
    • Schulman, M.D.1    Ostlind, D.A.2    Valentino, D.3
  • 122
    • 36448952353 scopus 로고    scopus 로고
    • Nuc-PLoc: a new web-server for predicting protein subnuclear localization by fusing PseAA composition and PsePSSM
    • Shen H.B., Chou K.C. Nuc-PLoc: a new web-server for predicting protein subnuclear localization by fusing PseAA composition and PsePSSM. Protein Eng. Des. Sel. 2007, 20:561-567.
    • (2007) Protein Eng. Des. Sel. , vol.20 , pp. 561-567
    • Shen, H.B.1    Chou, K.C.2
  • 123
    • 37549004451 scopus 로고    scopus 로고
    • PseAAC: a flexible web server for generating various kinds of protein pseudo amino acid composition
    • Shen H.B., Chou K.C. PseAAC: a flexible web server for generating various kinds of protein pseudo amino acid composition. Anal. Biochem. 2008, 373:386-388.
    • (2008) Anal. Biochem. , vol.373 , pp. 386-388
    • Shen, H.B.1    Chou, K.C.2
  • 124
    • 28644439327 scopus 로고    scopus 로고
    • Synthesis and total assignment of 1H and 13C NMR spectra of new oxoisoaporphines by long-range heteronuclear correlations
    • Sobarzo-Sanchez E., De la Fuente J., Castedo L. Synthesis and total assignment of 1H and 13C NMR spectra of new oxoisoaporphines by long-range heteronuclear correlations. Magn. Reson Chem 2005, 43(12):1080-1083.
    • (2005) Magn. Reson Chem , vol.43 , Issue.12 , pp. 1080-1083
    • Sobarzo-Sanchez, E.1    De la Fuente, J.2    Castedo, L.3
  • 125
    • 79953164620 scopus 로고    scopus 로고
    • StatSoft.Inc. STATISTICA (data analysis software system), version 6.0., Inc., 6.0
    • StatSoft.Inc., 2002. STATISTICA (data analysis software system), version 6.0., Inc., 6.0. http://www.statsoft.com.Statsoft.
    • (2002)
  • 129
    • 0013784493 scopus 로고
    • Influence of pH of media on the minimal inhibitory concentration of cycloserine to Mycobacterium tuberculosis
    • Tamura M., Takano S. Influence of pH of media on the minimal inhibitory concentration of cycloserine to Mycobacterium tuberculosis. Kekkaku 1965, 40:213-218.
    • (1965) Kekkaku , vol.40 , pp. 213-218
    • Tamura, M.1    Takano, S.2
  • 130
    • 5444258174 scopus 로고    scopus 로고
    • Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database
    • Thimm M., Goede A., Hougardy S., Preissner R. Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database. J. Chem. Inf. Comput. Sci. 2004, 44:1816-1822.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1816-1822
    • Thimm, M.1    Goede, A.2    Hougardy, S.3    Preissner, R.4
  • 131
    • 85027927447 scopus 로고    scopus 로고
    • A survey of current software for network analysis in molecular biology
    • Thomas S., Bonchev D. A survey of current software for network analysis in molecular biology. Hum. Genomics 2010, 4:353-360.
    • (2010) Hum. Genomics , vol.4 , pp. 353-360
    • Thomas, S.1    Bonchev, D.2
  • 134
    • 72949099925 scopus 로고    scopus 로고
    • Combinatorial library enumeration and lead hopping using comparative interaction fingerprint analysis and classical 2D QSAR methods for seeking novel GABA(A) alpha(3) modulators
    • Vijayan R.S., Bera I., Prabu M., Saha S., Ghoshal N. Combinatorial library enumeration and lead hopping using comparative interaction fingerprint analysis and classical 2D QSAR methods for seeking novel GABA(A) alpha(3) modulators. J. Chem. Inf. Model. 2009, 49:2498-2511.
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 2498-2511
    • Vijayan, R.S.1    Bera, I.2    Prabu, M.3    Saha, S.4    Ghoshal, N.5
  • 135
    • 32344439358 scopus 로고    scopus 로고
    • Probabilistic neural network model for the in silico evaluation of anti-HIV activity and mechanism of action
    • Vilar S., Santana L., Uriarte E. Probabilistic neural network model for the in silico evaluation of anti-HIV activity and mechanism of action. J. Med. Chem. 2006, 49:1118-1124.
    • (2006) J. Med. Chem. , vol.49 , pp. 1118-1124
    • Vilar, S.1    Santana, L.2    Uriarte, E.3
  • 136
    • 67249095008 scopus 로고    scopus 로고
    • Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors
    • Vina D., Uriarte E., Orallo F., Gonzalez-Diaz H. Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors. Mol. Pharm. 2009, 6:825-835.
    • (2009) Mol. Pharm. , vol.6 , pp. 825-835
    • Vina, D.1    Uriarte, E.2    Orallo, F.3    Gonzalez-Diaz, H.4
  • 137
    • 67650075330 scopus 로고    scopus 로고
    • Development of a compound class-directed similarity coefficient that accounts for molecular complexity effects in fingerprint searching
    • Wang Y., Bajorath J. Development of a compound class-directed similarity coefficient that accounts for molecular complexity effects in fingerprint searching. J. Chem. Inf. Model. 2009, 49:1369-1376.
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 1369-1376
    • Wang, Y.1    Bajorath, J.2
  • 138
    • 77955673069 scopus 로고    scopus 로고
    • 2D-MH: a web-server for generating graphic representation of protein sequences based on the physicochemical properties of their constituent amino acids
    • Wu Z.C., Xiao X., Chou K.C. 2D-MH: a web-server for generating graphic representation of protein sequences based on the physicochemical properties of their constituent amino acids. J. Theor. Biol. 2010, 267:29-34.
    • (2010) J. Theor. Biol. , vol.267 , pp. 29-34
    • Wu, Z.C.1    Xiao, X.2    Chou, K.C.3
  • 139
    • 70349584162 scopus 로고    scopus 로고
    • Application of protein grey incidence degree measure to predict protein quaternary structural types
    • Xiao X., Lin W.Z. Application of protein grey incidence degree measure to predict protein quaternary structural types. Amino Acids 2009, 37:741-749.
    • (2009) Amino Acids , vol.37 , pp. 741-749
    • Xiao, X.1    Lin, W.Z.2
  • 140
    • 33344460430 scopus 로고    scopus 로고
    • A probability cellular automaton model for hepatitis B viral infections
    • Xiao X., Shao S.H., Chou K.C. A probability cellular automaton model for hepatitis B viral infections. Biochem. Biophys. Res. Commun. 2006, 342:605-610.
    • (2006) Biochem. Biophys. Res. Commun. , vol.342 , pp. 605-610
    • Xiao, X.1    Shao, S.H.2    Chou, K.C.3
  • 141
    • 47549084414 scopus 로고    scopus 로고
    • Using grey dynamic modeling and pseudo amino acid composition to predict protein structural classes
    • Xiao X., Lin W.Z., Chou K.C. Using grey dynamic modeling and pseudo amino acid composition to predict protein structural classes. J. Comput. Chem. 2008, 29:2018-2024.
    • (2008) J. Comput. Chem. , vol.29 , pp. 2018-2024
    • Xiao, X.1    Lin, W.Z.2    Chou, K.C.3
  • 142
    • 51349105695 scopus 로고    scopus 로고
    • Predicting protein structural classes with pseudo amino acid composition: an approach using geometric moments of cellular automaton image
    • Xiao X., Wang P., Chou K.C. Predicting protein structural classes with pseudo amino acid composition: an approach using geometric moments of cellular automaton image. J. Theor. Biol. 2008, 254:691-696.
    • (2008) J. Theor. Biol. , vol.254 , pp. 691-696
    • Xiao, X.1    Wang, P.2    Chou, K.C.3
  • 143
    • 64749096548 scopus 로고    scopus 로고
    • GPCR-CA: a cellular automaton image approach for predicting G-protein-coupled receptor functional classes
    • Xiao X., Wang P., Chou K.C. GPCR-CA: a cellular automaton image approach for predicting G-protein-coupled receptor functional classes. J. Comput. Chem. 2009, 30:1414-1423.
    • (2009) J. Comput. Chem. , vol.30 , pp. 1414-1423
    • Xiao, X.1    Wang, P.2    Chou, K.C.3
  • 144
    • 79953308534 scopus 로고    scopus 로고
    • in press. Quat-2L:aweb-server for predicting protein quaternary structural attributes. Mol. Div., doi:.
    • Xiao, X., Wang, P., Chou, K.C., in press. Quat-2L:aweb-server for predicting protein quaternary structural attributes. Mol. Div., doi:. http://10.1007/s11030-010-9227-8.
    • Xiao, X.1    Wang, P.2    Chou, K.C.3
  • 145
    • 15244357858 scopus 로고    scopus 로고
    • Using cellular automata to generate image representation for biological sequences
    • Xiao X., Shao S., Ding Y., Huang Z., Chen X., Chou K.C. Using cellular automata to generate image representation for biological sequences. Amino Acids 2005, 28:29-35.
    • (2005) Amino Acids , vol.28 , pp. 29-35
    • Xiao, X.1    Shao, S.2    Ding, Y.3    Huang, Z.4    Chen, X.5    Chou, K.C.6
  • 146
    • 20344364176 scopus 로고    scopus 로고
    • An application of gene comparative image for predicting the effect on replication ratio by HBV virus gene missense mutation
    • Xiao X., Shao S., Ding Y., Huang Z., Chen X., Chou K.C. An application of gene comparative image for predicting the effect on replication ratio by HBV virus gene missense mutation. J. Theor. Biol. 2005, 235:555-565.
    • (2005) J. Theor. Biol. , vol.235 , pp. 555-565
    • Xiao, X.1    Shao, S.2    Ding, Y.3    Huang, Z.4    Chen, X.5    Chou, K.C.6
  • 147
    • 66349119013 scopus 로고    scopus 로고
    • A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery
    • Xie L., Xie L., Bourne P.E. A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery. Bioinformatics 2009, 25:i305-i312.
    • (2009) Bioinformatics , vol.25
    • Xie, L.1    Xie, L.2    Bourne, P.E.3
  • 148
    • 46249090791 scopus 로고    scopus 로고
    • Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
    • Yamanishi Y., Araki M., Gutteridge A., Honda W., Kanehisa M. Prediction of drug-target interaction networks from the integration of chemical and genomic spaces. Bioinformatics 2008, 24:i232-i240.
    • (2008) Bioinformatics , vol.24
    • Yamanishi, Y.1    Araki, M.2    Gutteridge, A.3    Honda, W.4    Kanehisa, M.5
  • 149
    • 70349755625 scopus 로고    scopus 로고
    • Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction
    • Yang C.Y., Sun H., Chen J., Nikolovska-Coleska Z., Wang S. Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction. J. Am. Chem. Soc. 2009, 131:13709-13721.
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 13709-13721
    • Yang, C.Y.1    Sun, H.2    Chen, J.3    Nikolovska-Coleska, Z.4    Wang, S.5
  • 151
    • 33646462126 scopus 로고    scopus 로고
    • Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces
    • Zhang S., Golbraikh A., Tropsha A. Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces. J. Med. Chem. 2006, 49:2713-2724.
    • (2006) J. Med. Chem. , vol.49 , pp. 2713-2724
    • Zhang, S.1    Golbraikh, A.2    Tropsha, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.