-
1
-
-
84863793860
-
Target identification by chromatographic co-elution: Monitoring of drug-protein interactions without immobilization or chemical derivatization
-
M111-016642
-
Chan, J.N.Y.; Vuckovic, D.; Sleno, L.; Olsen, J.B.; Pogoutse, O.; Havugimana, P.; Hewel, J.A.; Bajaj, N.; Wang, Y.; Musteata, M.F.; Nislow, C.; Emili, A. Target identification by chromatographic co-elution: monitoring of drug-protein interactions without immobilization or chemical derivatization. Mol. Cell. Proteomics, 2012, 11, M111-016642.
-
(2012)
Mol. Cell. Proteomics
, vol.11
-
-
Chan, J.N.Y.1
Vuckovic, D.2
Sleno, L.3
Olsen, J.B.4
Pogoutse, O.5
Havugimana, P.6
Hewel, J.A.7
Bajaj, N.8
Wang, Y.9
Musteata, M.F.10
Nislow, C.11
Emili, A.12
-
2
-
-
75149125686
-
Recent advances and method development for drug target identification
-
Chan, J.N.Y.; Nislow, C.; Emili, A. Recent advances and method development for drug target identification. Trends Pharmacol. Sci., 2010, 31, 82-88.
-
(2010)
Trends Pharmacol. Sci.
, vol.31
, pp. 82-88
-
-
Chan, J.N.Y.1
Nislow, C.2
Emili, A.3
-
3
-
-
33748331308
-
Model organisms-The mighty mouse: Genetically engineered mouse models in cancer drug development
-
Sharpless, N.E.; DePinho, R.A. Model organisms-The mighty mouse: genetically engineered mouse models in cancer drug development. Nat. Rev. Drug Discov., 2006, 5, 741-754.
-
(2006)
Nat. Rev. Drug Discov.
, vol.5
, pp. 741-754
-
-
Sharpless, N.E.1
DePinho, R.A.2
-
4
-
-
14944380168
-
Innovation-Reporter mice and drug discovery and development
-
Maggi, A.; Ciana, P. Innovation-Reporter mice and drug discovery and development. Nat. Rev. Drug Discov. 2005, 4, 249-255.
-
(2005)
Nat. Rev. Drug Discov.
, vol.4
, pp. 249-255
-
-
Maggi, A.1
Ciana, P.2
-
5
-
-
0024972417
-
Efficacy and tolerability of simvastatin (MK-733)
-
Stalenhoef, A.F.H.; Mol, M.; Stuyt, P.M.J. Efficacy and tolerability of simvastatin (MK-733). Am. J. Med., 1989, 87, S39-S43.
-
(1989)
Am. J. Med.
, vol.87
-
-
Stalenhoef, A.F.H.1
Mol, M.2
Stuyt, P.M.J.3
-
6
-
-
0026018161
-
Cholesterol-lowering agent myopathy (CLAM)
-
London, S.F.; Gross, K.F.; Ringel, S.P. Cholesterol-lowering agent myopathy (CLAM). Neurology, 1991, 41, 1159-1160.
-
(1991)
Neurology
, vol.41
, pp. 1159-1160
-
-
London, S.F.1
Gross, K.F.2
Ringel, S.P.3
-
8
-
-
0026722199
-
Pravastatinassociated inflammatory myopathy
-
Schalke, B.B.; Schmidt, B.; Toyka, K.; Hartung, H.P. Pravastatinassociated inflammatory myopathy. N. Engl. J. Med., 1992, 327, 649-650.
-
(1992)
N. Engl. J. Med.
, vol.327
, pp. 649-650
-
-
Schalke, B.B.1
Schmidt, B.2
Toyka, K.3
Hartung, H.P.4
-
9
-
-
0002661531
-
Myolysis and acute renal-failure in a heart-transplant recipient receiving lovastatin-rhabdomyolysis in patients receiving lovastatin after cardiac transplantation-Reply
-
Tobert, J.A. Myolysis and acute renal-failure in a heart-transplant recipient receiving lovastatin-rhabdomyolysis in patients receiving lovastatin after cardiac transplantation-Reply. N. Engl. J. Med., 1988, 318, 48-48.
-
(1988)
N. Engl. J. Med.
, vol.318
, pp. 48
-
-
Tobert, J.A.1
-
10
-
-
0023839115
-
Myolysis and acute renal-failure in a heart-transplant recipient receiving lovastatin
-
Norman, D.J.; Illingworth, D.R.; Munson, J.; Hosenpud, J. Myolysis and acute renal-failure in a heart-transplant recipient receiving lovastatin. N. Engl. J. Med., 1988, 318, 46-47.
-
(1988)
N. Engl. J. Med.
, vol.318
, pp. 46-47
-
-
Norman, D.J.1
Illingworth, D.R.2
Munson, J.3
Hosenpud, J.4
-
11
-
-
0023860312
-
Rhabdomyolysis in patients receiving lovastatin after cardiac transplantation
-
East, C.; Alivizatos, P.A.; Grundy, S.M.; Jones, P.H.; Farmer, J.A. Rhabdomyolysis in patients receiving lovastatin after cardiac transplantation. N. Engl. J. Med., 1988, 318, 47-48.
-
(1988)
N. Engl. J. Med.
, vol.318
, pp. 47-48
-
-
East, C.1
Alivizatos, P.A.2
Grundy, S.M.3
Jones, P.H.4
Farmer, J.A.5
-
12
-
-
49949104757
-
SLCO1B1 variants and statin-induced myopathy-A genomewide study
-
Link, E.; Parish, S.; Armitage, J.; Bowman, L.; Heath, S.; Matsuda, F.; Gut, I.; Lathrop, M.; Collins, R.; Grp, S. C. SLCO1B1 variants and statin-induced myopathy-A genomewide study. N. Engl. J. Med., 2008, 359, 789-799.
-
(2008)
N. Engl. J. Med.
, vol.359
, pp. 789-799
-
-
Link, E.1
Parish, S.2
Armitage, J.3
Bowman, L.4
Heath, S.5
Matsuda, F.6
Gut, I.7
Lathrop, M.8
Collins, R.9
Grp, S.C.10
-
13
-
-
28844490054
-
Statins and cancer prevention
-
Demierre, M.F.; Higgins, P.D.R.; Gruber, S. B.; Hawk, E.; Lippman, S.M. Statins and cancer prevention. Nat. Rev. Cancer, 2005, 5, 930-942.
-
(2005)
Nat. Rev. Cancer
, vol.5
, pp. 930-942
-
-
Demierre, M.F.1
Higgins, P.D.R.2
Gruber, S.B.3
Hawk, E.4
Lippman, S.M.5
-
14
-
-
42049088710
-
Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2
-
Lin, Y.C.; Lin, J.H.; Chou, C.W.; Chang, Y.F.; Yeh, S.H.; Chen, C.C. Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res., 2008, 68, 2375-2383.
-
(2008)
Cancer Res.
, vol.68
, pp. 2375-2383
-
-
Lin, Y.C.1
Lin, J.H.2
Chou, C.W.3
Chang, Y.F.4
Yeh, S.H.5
Chen, C.C.6
-
15
-
-
73949121803
-
Inhibition of histone deacetylase activity is a novel function of the antifolate drug methotrexate
-
Yang, P.M.; Lin, J.H.; Huang, W.Y.; Lin, Y.C.; Yeh, S.H.; Chen, C.C. Inhibition of histone deacetylase activity is a novel function of the antifolate drug methotrexate. Biochem. Biophys. Res. Commun., 2010, 391, 1396-1399.
-
(2010)
Biochem. Biophys. Res. Commun.
, vol.391
, pp. 1396-1399
-
-
Yang, P.M.1
Lin, J.H.2
Huang, W.Y.3
Lin, Y.C.4
Yeh, S.H.5
Chen, C.C.6
-
16
-
-
44449085539
-
Paul Ehrlich's magic bullet concept: 100 years of progress
-
Strebhardt, K.; Ullrich, A. Paul Ehrlich's magic bullet concept: 100 years of progress. Nat. Rev. Cancer, 2008, 8, 473-480.
-
(2008)
Nat. Rev. Cancer
, vol.8
, pp. 473-480
-
-
Strebhardt, K.1
Ullrich, A.2
-
18
-
-
27144449695
-
Designed multiple ligands. An emerging drug discovery paradigm
-
Morphy, R.; Rankovic, Z. Designed multiple ligands. An emerging drug discovery paradigm. J. Med. Chem., 2005, 48, 6523-6543.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 6523-6543
-
-
Morphy, R.1
Rankovic, Z.2
-
19
-
-
3242794178
-
From magic bullets to designed multiple ligands
-
Morphy, R.; Kay, C.; Rankovic, Z. From magic bullets to designed multiple ligands. Drug Discov. Today, 2004, 9, 641-651.
-
(2004)
Drug Discov. Today
, vol.9
, pp. 641-651
-
-
Morphy, R.1
Kay, C.2
Rankovic, Z.3
-
20
-
-
34249033970
-
Neuroprotective principles from Gastrodia elata
-
Huang, N.K.; Chern, Y.; Fang, J.M.; Lin, C.I.; Chen, W.P.; Lin, Y.L. Neuroprotective principles from Gastrodia elata. J. Nat. Prod., 2007, 70, 571-574.
-
(2007)
J. Nat. Prod.
, vol.70
, pp. 571-574
-
-
Huang, N.K.1
Chern, Y.2
Fang, J.M.3
Lin, C.I.4
Chen, W.P.5
Lin, Y.L.6
-
21
-
-
79959352258
-
A new drug design targeting the adenosinergic system for Huntington's disease
-
Huang, N.K.; Lin, J.H.; Lin, J.T.; Lin, C.I.; Liu, E.M.W.; Lin, C.J.; Chen, W.P.; Shen, Y.C.; Chen, H.M.; Chen, J.B.; Lai, H.L.; Yang, C.W.; Chiang, M.C.; Wu, Y.S.; Chang, C.; Chen, J.F.; Fang, J.M.; Lin, Y.L.; Chern, Y.J. A new drug design targeting the adenosinergic system for Huntington's disease. PLoS ONE, 2011, 6, e20934.
-
(2011)
PLoS ONE
, vol.6
-
-
Huang, N.K.1
Lin, J.H.2
Lin, J.T.3
Lin, C.I.4
Liu, E.M.W.5
Lin, C.J.6
Chen, W.P.7
Shen, Y.C.8
Chen, H.M.9
Chen, J.B.10
Lai, H.L.11
Yang, C.W.12
Chiang, M.C.13
Wu, Y.S.14
Chang, C.15
Chen, J.F.16
Fang, J.M.17
Lin, Y.L.18
Chern, Y.J.19
-
22
-
-
79961007572
-
Trends in the exploitation of novel drug targets
-
Rask-Andersen, M.; Almen, M.S.; Schioth, H.B. Trends in the exploitation of novel drug targets. Nat. Rev. Drug Discov., 2011, 10, 579-590.
-
(2011)
Nat. Rev. Drug Discov.
, vol.10
, pp. 579-590
-
-
Rask-Andersen, M.1
Almen, M.S.2
Schioth, H.B.3
-
23
-
-
29144531173
-
The druggable genome: An update
-
Russ, A.P.; Lampel, S. The druggable genome: an update. Drug Discov. Today, 2005, 10, 1607-1610.
-
(2005)
Drug Discov. Today
, vol.10
, pp. 1607-1610
-
-
Russ, A.P.1
Lampel, S.2
-
25
-
-
84864453939
-
idTarget: A web server for identifying proteins targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
-
Wang, J.C.; Chu, P.Y.; Chen, C.M.; Lin, J.H. idTarget: a web server for identifying proteins targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach. Nucleic Acids Res., 2012, 40, W393-W399.
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
Wang, J.C.1
Chu, P.Y.2
Chen, C.M.3
Lin, J.H.4
-
26
-
-
33747829590
-
TarFisDock: A web server for identifying drug targets with docking approach
-
Li, H.L.; Gao, Z.T.; Kang, L.; Zhang, H.L.; Yang, K.; Yu, K.Q.; Luo, X.M.; Zhu, W.L.; Chen, K.X.; Shen, J.H.; Wang, X.C.; Jiang, H.L. TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res., 2006, 34, W219-W224.
-
(2006)
Nucleic Acids Res.
, vol.34
-
-
Li, H.L.1
Gao, Z.T.2
Kang, L.3
Zhang, H.L.4
Yang, K.5
Yu, K.Q.6
Luo, X.M.7
Zhu, W.L.8
Chen, K.X.9
Shen, J.H.10
Wang, X.C.11
Jiang, H.L.12
-
27
-
-
67849110009
-
SePreSA: A server for the prediction of populations susceptible to serious adverse drug reactions implementing the methodology of a chemicalprotein interactome
-
Yang, L.; Luo, H.; Chen, J.; Xing, Q.H.; He, L. SePreSA: a server for the prediction of populations susceptible to serious adverse drug reactions implementing the methodology of a chemicalprotein interactome. Nucleic Acids Res., 2009, 37, W406-W412.
-
(2009)
Nucleic Acids Res.
, vol.37
-
-
Yang, L.1
Luo, H.2
Chen, J.3
Xing, Q.H.4
He, L.5
-
28
-
-
79953286431
-
An inverse docking approach for identifying new potential anticancer targets
-
Grinter, S.Z.; Liang, Y.Y.; Huang, S.Y.; Hyder, S.M.; Zou, X.Q. An inverse docking approach for identifying new potential anticancer targets. J. Mol. Graph., 2011, 29, 795-799.
-
(2011)
J. Mol. Graph.
, vol.29
, pp. 795-799
-
-
Grinter, S.Z.1
Liang, Y.Y.2
Huang, S.Y.3
Hyder, S.M.4
Zou, X.Q.5
-
29
-
-
0035217619
-
Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach
-
Chen, Y.Z.; Ung, C.Y. Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach. J. Mol. Graph., 2001, 20, 199-218.
-
(2001)
J. Mol. Graph.
, vol.20
, pp. 199-218
-
-
Chen, Y.Z.1
Ung, C.Y.2
-
30
-
-
84862011491
-
Protein-ligand-based pharmacophores: Generation and utility assessment in computational ligand profiling
-
Meslamani, J.; Li, J.B.; Sutter, J.; Stevens, A.; Bertrand, H.O.; Rognan, D. Protein-ligand-based pharmacophores: generation and utility assessment in computational ligand profiling. J. Chem. Inf. Model., 2012, 52, 943-955.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 943-955
-
-
Meslamani, J.1
Li, J.B.2
Sutter, J.3
Stevens, A.4
Bertrand, H.O.5
Rognan, D.6
-
31
-
-
77954264038
-
PharmMapper server: A web server for potential drug target identification using pharmacophore mapping approach
-
Liu, X.F.; Ouyang, S.S.; Yu, B.A.; Liu, Y.B.; Huang, K.; Gong, J.Y.; Zheng, S.Y.; Li, Z.H.; Li, H.L.; Jiang, H.L. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res., 2010, 38, W609-W614.
-
(2010)
Nucleic Acids Res.
, vol.38
-
-
Liu, X.F.1
Ouyang, S.S.2
Yu, B.A.3
Liu, Y.B.4
Huang, K.5
Gong, J.Y.6
Zheng, S.Y.7
Li, Z.H.8
Li, H.L.9
Jiang, H.L.10
-
32
-
-
70350512851
-
Target fishing for chemical compounds using target-ligand activity data and ranking based methods
-
Wale, N.; Karypis, G. Target fishing for chemical compounds using target-ligand activity data and ranking based methods. J. Chem. Inf. Model., 2009, 49, 2190-2201.
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 2190-2201
-
-
Wale, N.1
Karypis, G.2
-
33
-
-
79960591044
-
Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space
-
van der Horst, E.; Peironcely, J.E.; van Westen, G.J.P.; van den Hoven, O.O.; Galloway, W.; Spring, D.R.; Wegner, J.K.; van Vlijmen, H.W.T.; Ijzerman, A.P.; Overington, J.P.; Bender, A. Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space. Curr. Top. Med. Chem., 2011, 11, 1964-1977.
-
(2011)
Curr. Top. Med. Chem.
, vol.11
, pp. 1964-1977
-
-
van der Horst, E.1
Peironcely, J.E.2
van Westen, G.J.P.3
van den Hoven, O.O.4
Galloway, W.5
Spring, D.R.6
Wegner, J.K.7
van Vlijmen, H.W.T.8
Ijzerman, A.P.9
Overington, J.P.10
Bender, A.11
-
34
-
-
81055140589
-
From in silico target prediction to multi-target drug design: Current databases, methods and applications
-
Koutsoukas, A.; Simms, B.; Kirchmair, J.; Bond, P.J.; Whitmore, A. V.; Zimmer, S.; Young, M. P.; Jenkins, J.L.; Glick, M.; Glen, R.C.; Bender, A. From in silico target prediction to multi-target drug design: Current databases, methods and applications. J. Proteomics, 2011, 74, 2554-2574.
-
(2011)
J. Proteomics
, vol.74
, pp. 2554-2574
-
-
Koutsoukas, A.1
Simms, B.2
Kirchmair, J.3
Bond, P.J.4
Whitmore, A.V.5
Zimmer, S.6
Young, M.P.7
Jenkins, J.L.8
Glick, M.9
Glen, R.C.10
Bender, A.11
-
35
-
-
67049158003
-
Fishing the target of antitubercular compounds: In silico target deconvolution model development and validation
-
Prathipati, P.; Ma, N. L.; Manjunatha, U. H.; Bender, A. Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation. J. Proteome Res., 2009, 8, 2788-2798.
-
(2009)
J. Proteome Res.
, vol.8
, pp. 2788-2798
-
-
Prathipati, P.1
Ma, N.L.2
Manjunatha, U.H.3
Bender, A.4
-
36
-
-
66749165862
-
Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data
-
Bender, A.; Mikhailov, D.; Glick, M.; Scheiber, J.; Davies, J. W.; Cleaver, S.; Marshall, S.; Tallarico, J. A.; Harrington, E.; Cornella-Taracido, I.; Jenkins, J. L. Use of ligand based models for protein domains to predict novel molecular targets and applications to triage affinity chromatography data. J. Proteome Res., 2009, 8, 2575-2585.
-
(2009)
J. Proteome Res.
, vol.8
, pp. 2575-2585
-
-
Bender, A.1
Mikhailov, D.2
Glick, M.3
Scheiber, J.4
Davies, J.W.5
Cleaver, S.6
Marshall, S.7
Tallarico, J.A.8
Harrington, E.9
Cornella-Taracido, I.10
Jenkins, J.L.11
-
37
-
-
58049191116
-
Computational approaches in chemogenomics and chemical biology: Current and future impact on drug discovery
-
Bajorath, J. Computational approaches in chemogenomics and chemical biology: current and future impact on drug discovery. Expert Opin. Drug Discov., 2008, 3, 1371-1376.
-
(2008)
Expert Opin. Drug Discov.
, vol.3
, pp. 1371-1376
-
-
Bajorath, J.1
-
38
-
-
36048992504
-
Chemogenomic data analysis: Prediction of small-molecule targets and the advent of biological fingerprints
-
Bender, A.; Young, D.W.; Jenkins, J.L.; Serrano, M.; Mikhailov, D.; Clemons, P.A.; Davies, J.W. Chemogenomic data analysis: Prediction of small-molecule targets and the advent of biological fingerprints. Comb. Chem. High Throughput Screen., 2007, 10, 719-731.
-
(2007)
Comb. Chem. High Throughput Screen.
, vol.10
, pp. 719-731
-
-
Bender, A.1
Young, D.W.2
Jenkins, J.L.3
Serrano, M.4
Mikhailov, D.5
Clemons, P.A.6
Davies, J.W.7
-
39
-
-
84863399669
-
Exploring polypharmacology using a ROCS-based target fishing approach
-
AbdulHameed, M.D.M.; Chaudhury, S.; Singh, N.; Sun, H.; Wallqvist, A.; Tawa, G.J. Exploring polypharmacology using a ROCS-based target fishing approach. J. Chem. Inf. Model., 2012, 52, 492-505.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 492-505
-
-
AbdulHameed, M.D.M.1
Chaudhury, S.2
Singh, N.3
Sun, H.4
Wallqvist, A.5
Tawa, G.J.6
-
40
-
-
33745391215
-
Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases
-
Nidhi; Glick, M.; Davies, J.W.; Jenkins, J.L. Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases. J. Chem. Inf. Model., 2006, 46, 1124-1133.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1124-1133
-
-
Nidhi, G.M.1
Davies, J.W.2
Jenkins, J.L.3
-
42
-
-
79960617476
-
Methods for the successful application of chemogenomics to GPCR drug design
-
Garland, S.L.; Gloriam, D.E. Methods for the successful application of chemogenomics to GPCR drug design. Curr. Top. Med. Chem., 2011, 11, 1870-1871.
-
(2011)
Curr. Top. Med. Chem.
, vol.11
, pp. 1870-1871
-
-
Garland, S.L.1
Gloriam, D.E.2
-
43
-
-
84856095231
-
Chemical informatics and target identification in a zebrafish phenotypic screen
-
Laggner, C.; Kokel, D.; Setola, V.; Tolia, A.; Lin, H.; Irwin, J.J.; Keiser, M.J.; Cheung, C.Y.J.; Minor, D.L.; Roth, B.L.; Peterson, R.T.; Shoichet, B.K. Chemical informatics and target identification in a zebrafish phenotypic screen. Nat. Chem. Biol., 2012, 8, 144-146.
-
(2012)
Nat. Chem. Biol.
, vol.8
, pp. 144-146
-
-
Laggner, C.1
Kokel, D.2
Setola, V.3
Tolia, A.4
Lin, H.5
Irwin, J.J.6
Keiser, M.J.7
Cheung, C.Y.J.8
Minor, D.L.9
Roth, B.L.10
Peterson, R.T.11
Shoichet, B.K.12
-
44
-
-
79960985571
-
Structure-based druggability assessment-identifying suitable targets for small molecule therapeutics
-
Fauman, E.B.; Rai, B.K.; Huang, E.S. Structure-based druggability assessment-identifying suitable targets for small molecule therapeutics. Curr. Opin. Chem. Biol., 2011, 15, 463-468.
-
(2011)
Curr. Opin. Chem. Biol.
, vol.15
, pp. 463-468
-
-
Fauman, E.B.1
Rai, B.K.2
Huang, E.S.3
-
45
-
-
79953100964
-
Structure-based systems biology for analyzing off-target binding
-
Xie, L.; Bourne, P. E. Structure-based systems biology for analyzing off-target binding. Curr. Opin. Struct. Biol., 2011, 21, 189-199.
-
(2011)
Curr. Opin. Struct. Biol.
, vol.21
, pp. 189-199
-
-
Xie, L.1
Bourne, P.E.2
-
46
-
-
79851513361
-
Combining functional genomics and chemical biology to identify targets of bioactive compounds
-
Ho, C.H.; Piotrowski, J.; Dixon, S.J.; Baryshnikoval, A.; Costanzol, M.; Boone, C. Combining functional genomics and chemical biology to identify targets of bioactive compounds. Curr. Opin. Chem. Biol., 2011, 15, 66-78.
-
(2011)
Curr. Opin. Chem. Biol.
, vol.15
, pp. 66-78
-
-
Ho, C.H.1
Piotrowski, J.2
Dixon, S.J.3
Baryshnikoval, A.4
Costanzol, M.5
Boone, C.6
-
47
-
-
77953286121
-
In-silico approaches to multi-target drug discovery
-
Ma, X.H.; Shi, Z.; Tan, C.Y.; Jiang, Y.Y.; Go, M.L.; Low, B.C.; Chen, Y.Z. In-silico approaches to multi-target drug discovery. Pharm. Res., 2010, 27, 739-749.
-
(2010)
Pharm. Res.
, vol.27
, pp. 739-749
-
-
Ma, X.H.1
Shi, Z.2
Tan, C.Y.3
Jiang, Y.Y.4
Go, M.L.5
Low, B.C.6
Chen, Y.Z.7
-
48
-
-
77952683248
-
Structure-based approaches to target fishing and ligand profiling
-
Rognan, D. Structure-based approaches to target fishing and ligand profiling. Mol. Inf. 2010, 29, 176-187.
-
(2010)
Mol. Inf.
, vol.29
, pp. 176-187
-
-
Rognan, D.1
-
49
-
-
78650853329
-
The chemical basis of pharmacology
-
Keiser, M.J.; Irwin, J.J.; Shoichet, B.K. The chemical basis of pharmacology. Biochemistry, 2010, 49, 10267-10276.
-
(2010)
Biochemistry
, vol.49
, pp. 10267-10276
-
-
Keiser, M.J.1
Irwin, J.J.2
Shoichet, B.K.3
-
50
-
-
70349768241
-
Docking and chemoinformatic screens for new ligands and targets
-
Kolb, P.; Ferreira, R.S.; Irwin, J.J.; Shoichet, B.K. Docking and chemoinformatic screens for new ligands and targets. Curr. Opin. Biotechnol., 2009, 20, 429-436.
-
(2009)
Curr. Opin. Biotechnol.
, vol.20
, pp. 429-436
-
-
Kolb, P.1
Ferreira, R.S.2
Irwin, J.J.3
Shoichet, B.K.4
-
51
-
-
79960721268
-
Enhancing the accuracy of chemogenomic models with a three-dimensional binding site kernel
-
Meslamani, J.; Rognan, D. Enhancing the accuracy of chemogenomic models with a three-dimensional binding site kernel. J. Chem. Inf. Model., 2011, 51, 1593-1603.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 1593-1603
-
-
Meslamani, J.1
Rognan, D.2
-
52
-
-
80053305462
-
Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining
-
Cheng, T.J.; Li, Q.L.; Wang, Y.L.; Bryant, S.H. Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining. J. Chem. Inf. Model., 2011, 51, 2440-2448.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 2440-2448
-
-
Cheng, T.J.1
Li, Q.L.2
Wang, Y.L.3
Bryant, S.H.4
-
53
-
-
80053453210
-
A Computational approach to finding novel targets for existing drugs
-
Li, Y.Y.; An, J.H.; Jones, S.J.M. A Computational approach to finding novel targets for existing drugs. PLoS Comput. Biol., 2011, 7.
-
(2011)
PLoS Comput. Biol.
, pp. 7
-
-
Li, Y.Y.1
An, J.H.2
Jones, S.J.M.3
-
54
-
-
77955772600
-
Computational identification of bioactive natural products by structure activity relationship
-
Zhou, X.; Li, Y.Q.; Chen, X. Computational identification of bioactive natural products by structure activity relationship. J. Mol. Graph., 2010, 29, 38-45.
-
(2010)
J. Mol. Graph.
, vol.29
, pp. 38-45
-
-
Zhou, X.1
Li, Y.Q.2
Chen, X.3
-
55
-
-
75549084941
-
BioDrugScreen: A computational drug design resource for ranking molecules docked to the human proteome
-
Li, L.W.; Bum-Erdene, K.; Baenziger, P.H.; Rosen, J.J.; Hemmert, J.R.; Nellis, J.A.; Pierce, M.E.; Meroueh, S.O. BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome. Nucleic Acids Res., 2010, 38, D765-D773.
-
(2010)
Nucleic Acids Res.
, vol.38
-
-
Li, L.W.1
Bum-Erdene, K.2
Baenziger, P.H.3
Rosen, J.J.4
Hemmert, J.R.5
Nellis, J.A.6
Pierce, M.E.7
Meroueh, S.O.8
-
56
-
-
44349119204
-
A simple and fuzzy method to align and compare druggable ligand-binding sites
-
Schalon, C.; Surgand, J.S.; Kellenberger, E.; Rognan, D. A simple and fuzzy method to align and compare druggable ligand-binding sites. Proteins. 2008, 71, 1755-1778.
-
(2008)
Proteins.
, vol.71
, pp. 1755-1778
-
-
Schalon, C.1
Surgand, J.S.2
Kellenberger, E.3
Rognan, D.4
-
57
-
-
45749117025
-
Ranking targets in structure-based virtual screening of three-dimensional protein libraries: Methods and problems
-
Kellenberger, E.; Foata, N.; Rognan, D. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: Methods and problems. J. Chem. Inf. Model. 2008, 48, 1014-1025.
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1014-1025
-
-
Kellenberger, E.1
Foata, N.2
Rognan, D.3
-
58
-
-
79954520873
-
sc-PDB: A database for identifying variations and multiplicity of 'druggable' binding sites in proteins
-
Meslamani, J.; Rognan, D.; Kellenberger, E. sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins. Bioinformatics, 2011, 27, 1324-1326.
-
(2011)
Bioinformatics
, vol.27
, pp. 1324-1326
-
-
Meslamani, J.1
Rognan, D.2
Kellenberger, E.3
-
59
-
-
84861508376
-
STITCH 3: Zooming in on protein-chemical interactions
-
Kuhn, M.; Szklarczyk, D.; Franceschini, A.; von Mering, C.; Jensen, L. J.; Bork, P. STITCH 3: zooming in on protein-chemical interactions. Nucleic Acids Res., 2012, 40, D876-D880.
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
Kuhn, M.1
Szklarczyk, D.2
Franceschini, A.3
von Mering, C.4
Jensen, L.J.5
Bork, P.6
-
60
-
-
84862192766
-
ChEMBL: A large-scale bioactivity database for drug discovery
-
Gaulton, A.; Bellis, L.J.; Bento, A.P.; Chambers, J.; Davies, M.; Hersey, A.; Light, Y.; McGlinchey, S.; Michalovich, D.; Al-Lazikani, B.; Overington, J.P. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res., 2012, 40, D1100-D1107.
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
Gaulton, A.1
Bellis, L.J.2
Bento, A.P.3
Chambers, J.4
Davies, M.5
Hersey, A.6
Light, Y.7
McGlinchey, S.8
Michalovich, D.9
Al-Lazikani, B.10
Overington, J.P.11
-
61
-
-
84865086069
-
AutoBind: Automatic extraction of protein-ligand binding affinity data from biological literature
-
Chang, D.T.H.; Ke. C.H.; Lin. J.H.; Chiang. J.H. AutoBind: Automatic extraction of protein-ligand binding affinity data from biological literature. Bioinformatics, 2012, 28, 2162-2168.
-
(2012)
Bioinformatics
, vol.28
, pp. 2162-2168
-
-
Chang, D.T.H.1
Ke, C.H.2
Lin, J.H.3
Chiang, J.H.4
-
62
-
-
36348960223
-
Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: The consortium on metabonomic toxicology screening approach
-
Ebbels, T.M.D.; Keun, H.C.; Beckonert, O.P.; Bollard, M.E.; Lindon, J.C.; Holmes, E.; Nicholson, J.K. Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: The consortium on metabonomic toxicology screening approach. J. Proteome Res., 2007, 6, 4407-4422.
-
(2007)
J. Proteome Res.
, vol.6
, pp. 4407-4422
-
-
Ebbels, T.M.D.1
Keun, H.C.2
Beckonert, O.P.3
Bollard, M.E.4
Lindon, J.C.5
Holmes, E.6
Nicholson, J.K.7
-
63
-
-
0042355457
-
In silico prediction of drug toxicity
-
Dearden, J.C. In silico prediction of drug toxicity. J. Comput.-Aided Mol. Des., 2003, 17, 119-127.
-
(2003)
J. Comput.-Aided Mol. Des.
, vol.17
, pp. 119-127
-
-
Dearden, J.C.1
-
64
-
-
0037204541
-
Computer systems for the prediction of toxicity: An update
-
Greene, N. Computer systems for the prediction of toxicity: an update. Adv. Drug Deliv. Rev., 2002, 54, 417-431.
-
(2002)
Adv. Drug Deliv. Rev.
, vol.54
, pp. 417-431
-
-
Greene, N.1
-
65
-
-
0030048695
-
Computer prediction of possible toxic action from chemical structure: An update on the DEREK system
-
Ridings, J.E.; Barratt, M.D.; Cary, R.; Earnshaw, C.G.; Eggington, C.E.; Ellis, M.K.; Judson, P.N.; Langowski, J.J.; Marchant, C.A.; Payne, M.P.; Watson, W.P.; Yih, T.D. Computer prediction of possible toxic action from chemical structure: An update on the DEREK system. Toxicology, 1996, 106, 267-279.
-
(1996)
Toxicology
, vol.106
, pp. 267-279
-
-
Ridings, J.E.1
Barratt, M.D.2
Cary, R.3
Earnshaw, C.G.4
Eggington, C.E.5
Ellis, M.K.6
Judson, P.N.7
Langowski, J.J.8
Marchant, C.A.9
Payne, M.P.10
Watson, W.P.11
Yih, T.D.12
-
66
-
-
84865485155
-
ToxAlerts: A web server for structural alerts for toxic chemicals and compounds with potential adverse reactions
-
Sushko, I.; Salmina, E.; Potemkin, V.A.; Poda, G.; Tetko, I.V. ToxAlerts: A web server for structural alerts for toxic chemicals and compounds with potential adverse reactions. J. Chem. Inf. Model., 2012, 52, 2310-2316.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 2310-2316
-
-
Sushko, I.1
Salmina, E.2
Potemkin, V.A.3
Poda, G.4
Tetko, I.V.5
-
67
-
-
38149057519
-
Monty Kier and the Origin of the Pharmacophore Concept
-
van Drie, J.H. Monty Kier and the Origin of the Pharmacophore Concept. Int. Electron. J. Mol. Des., 2007, 6, 271-279.
-
(2007)
Int. Electron. J. Mol. Des.
, vol.6
, pp. 271-279
-
-
van Drie, J.H.1
-
68
-
-
85026053788
-
Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)
-
Wermuth, G.; Ganellin, C.R.; Lindberg, P.; Mitscher, L.A. Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998). Pure Appl. Chem., 1998, 70, 1129-1143.
-
(1998)
Pure Appl. Chem.
, vol.70
, pp. 1129-1143
-
-
Wermuth, G.1
Ganellin, C.R.2
Lindberg, P.3
Mitscher, L.A.4
-
69
-
-
0037165448
-
A view of the hydrophobic effect
-
Southall, N.T.; Dill, K.A.; Haymet, A.D.J. A view of the hydrophobic effect. J. Phys. Chem. B., 2002, 106, 521-533.
-
(2002)
J. Phys. Chem. B.
, vol.106
, pp. 521-533
-
-
Southall, N.T.1
Dill, K.A.2
Haymet, A.D.J.3
-
70
-
-
77956951744
-
Pharmacophores in Drug Research
-
Langer, T. Pharmacophores in Drug Research. Mol. Inf., 2010, 29, 470-475.
-
(2010)
Mol. Inf.
, vol.29
, pp. 470-475
-
-
Langer, T.1
-
71
-
-
78049422919
-
One concept, three implementations of 3d pharmacophore-based virtual screening: Distinct coverage of chemical search space
-
Spitzer, G.M.; Heiss, M.; Mangold, M.; Mark, P.; Kirchmair, J.; Wolber, G.; Liedl, K.R. One concept, three implementations of 3d pharmacophore-based virtual screening: distinct coverage of chemical search space. J. Chem. Inf. Model., 2010, 50, 1241-1247.
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 1241-1247
-
-
Spitzer, G.M.1
Heiss, M.2
Mangold, M.3
Mark, P.4
Kirchmair, J.5
Wolber, G.6
Liedl, K.R.7
-
72
-
-
5644236834
-
Pharmacophore modeling and three dimensional database searching for drug design using catalyst: Recent advances
-
Guner, O.; Clement, O.; Kurogi, Y. Pharmacophore modeling and three dimensional database searching for drug design using catalyst: Recent advances. Curr. Med. Chem., 2004, 11, 2991-3005.
-
(2004)
Curr. Med. Chem.
, vol.11
, pp. 2991-3005
-
-
Guner, O.1
Clement, O.2
Kurogi, Y.3
-
73
-
-
13844320566
-
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
-
Wolber, G.; Langer, T. LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J. Chem. Inf. Model., 2005, 45, 160-169.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 160-169
-
-
Wolber, G.1
Langer, T.2
-
74
-
-
33845868822
-
PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
-
Dixon, S.L.; Smondyrev, A.M.; Knoll, E.H.; Rao, S.N.; Shaw, D.E.; Friesner, R.A. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J. Comput.-Aided Mol. Des., 2006, 20, 647-671.
-
(2006)
J. Comput.-Aided Mol. Des.
, vol.20
, pp. 647-671
-
-
Dixon, S.L.1
Smondyrev, A.M.2
Knoll, E.H.3
Rao, S.N.4
Shaw, D.E.5
Friesner, R.A.6
-
75
-
-
52049125711
-
Pharao: Pharmacophore alignment and optimization
-
Taminau, J.; Thijs, G.; De Winter, H. Pharao: Pharmacophore alignment and optimization. J. Mol. Graph., 2008, 27, 161-169.
-
(2008)
J. Mol. Graph.
, vol.27
, pp. 161-169
-
-
Taminau, J.1
Thijs, G.2
de Winter, H.3
-
76
-
-
79959746008
-
Pharmer: Efficient and exact pharmacophore search
-
Koes, D.R.; Camacho, C.J. Pharmer: efficient and exact pharmacophore search. J. Chem. Inf. Model., 2011, 51, 1307-1314.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 1307-1314
-
-
Koes, D.R.1
Camacho, C.J.2
-
77
-
-
79960660121
-
2A receptor and adenosine transporter for neuroprotection
-
2A receptor and adenosine transporter for neuroprotection. Chem. Med. Chem., 2011, 6, 1390-1400.
-
(2011)
Chem. Med. Chem.
, vol.6
, pp. 1390-1400
-
-
Chen, J.B.1
Liu, E.M.2
Chern, T.R.3
Yang, C.W.4
Lin, C.I.5
Huang, N.K.6
Lin, Y.L.7
Chern, Y.J.8
Lin, J.H.9
Fang, J.M.10
-
78
-
-
0028467707
-
Application of genetic function approximation to quantitative structure-activity-relationships and quantitative structure-property relationships
-
Rogers, D.; Hopfinger, A.J. Application of genetic function approximation to quantitative structure-activity-relationships and quantitative structure-property relationships. J. Chem. Inf. Comput. Sci., 1994, 34, 854-866.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 854-866
-
-
Rogers, D.1
Hopfinger, A.J.2
-
79
-
-
84877823202
-
Scoring functions for protein-ligand interactions
-
(PMID: 23016847)
-
Wang, J.C.; Lin, J.H. Scoring functions for protein-ligand interactions. Curr. Pharm. Des., 2013. (PMID: 23016847)
-
(2013)
Curr. Pharm. Des.
-
-
Wang, J.C.1
Lin, J.H.2
-
80
-
-
40549130652
-
PDTD: A webaccessible protein database for drug target identification
-
Gao, Z.T.; Li, H.L.; Zhang, H.L.; Liu, X.F.; Kang, L.; Luo, X.M.; Zhu, W.L.; Chen, K.X.; Wang, X.C.; Jiang, H.L. PDTD: a webaccessible protein database for drug target identification. BMC Bioinformatics, 2008, 9,104.
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 104
-
-
Gao, Z.T.1
Li, H.L.2
Zhang, H.L.3
Liu, X.F.4
Kang, L.5
Luo, X.M.6
Zhu, W.L.7
Chen, K.X.8
Wang, X.C.9
Jiang, H.L.10
-
81
-
-
34547844087
-
DITOP: Druginduced toxicity related protein database
-
Zhang, J.X.; Huang, W.J.; Zeng, J.H.; Huang, W.H.; Wang, Y.; Zhao, R.; Han, B.C.; Liu, Q.F.; Chen, Y.Z.; Ji, Z.L. DITOP: druginduced toxicity related protein database. Bioinformatics 2007, 23, 1710-1712.
-
(2007)
Bioinformatics
, vol.23
, pp. 1710-1712
-
-
Zhang, J.X.1
Huang, W.J.2
Zeng, J.H.3
Huang, W.H.4
Wang, Y.5
Zhao, R.6
Han, B.C.7
Liu, Q.F.8
Chen, Y.Z.9
Ji, Z.L.10
-
82
-
-
0042122711
-
Drug Adverse Reaction Target Database (DART)-Proteins related to adverse drug reactions
-
Ji, Z.L.; Han, L.Y.; Yap, C.W.; Sun, L.Z.; Chen, X.; Chen, Y.Z. Drug Adverse Reaction Target Database (DART)-Proteins related to adverse drug reactions. Drug Saf., 2003, 26, 685-690.
-
(2003)
Drug Saf.
, vol.26
, pp. 685-690
-
-
Ji, Z.L.1
Han, L.Y.2
Yap, C.W.3
Sun, L.Z.4
Chen, X.5
Chen, Y.Z.6
-
83
-
-
23144462493
-
MEDock: A web server for efficient prediction of ligand binding sites based on a novel optimization algorithm
-
Chang, D.T.H.; Oyang, Y.J.; Lin, J.H. MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm. Nucleic Acids Res., 2005, 33, W233-W238.
-
(2005)
Nucleic Acids Res.
, vol.33
-
-
Chang, D.T.H.1
Oyang, Y.J.2
Lin, J.H.3
-
84
-
-
77954321129
-
On the design of optimization algorithms for prediction of molecular interactions
-
Chang, D.T.H.; Lin, J.H.; Hsieh, C.H.; Oyang, Y.J. On the design of optimization algorithms for prediction of molecular interactions. Int. J. Artif. Intell. Tools, 2010, 19, 267-280.
-
(2010)
Int. J. Artif. Intell. Tools
, vol.19
, pp. 267-280
-
-
Chang, D.T.H.1
Lin, J.H.2
Hsieh, C.H.3
Oyang, Y.J.4
-
85
-
-
80054928964
-
Robust scoring functions for protein-ligand interactions with quantum chemical charge models
-
Wang, J.C.; Lin, J.H.; Chen, C.M.; Perryman, A.L.; Olson, A.J. Robust scoring functions for protein-ligand interactions with quantum chemical charge models. J. Chem. Inf. Model, 2011, 51, 2528-2537.
-
(2011)
J. Chem. Inf. Model
, vol.51
, pp. 2528-2537
-
-
Wang, J.C.1
Lin, J.H.2
Chen, C.M.3
Perryman, A.L.4
Olson, A.J.5
-
86
-
-
0001041959
-
Fast, efficient generation of high-quality atomic Charges. AM1-BCC model: I. Method
-
Jakalian, A.; Bush, B.L.; Jack, D.B.; Bayly, C.I. Fast, efficient generation of high-quality atomic Charges. AM1-BCC model: I. Method. J. Comput. Chem., 2000, 21, 132-146.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 132-146
-
-
Jakalian, A.1
Bush, B.L.2
Jack, D.B.3
Bayly, C.I.4
-
88
-
-
33846108633
-
Binding DB: A web-accessible database of experimentally determined protein-ligand binding affinities
-
Liu, T.Q.; Lin, Y.M.; Wen, X.; Jorissen, R.N.; Gilson, M.K. Binding DB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res., 2007, 35, D198-D201.
-
(2007)
Nucleic Acids Res.
, vol.35
-
-
Liu, T.Q.1
Lin, Y.M.2
Wen, X.3
Jorissen, R.N.4
Gilson, M.K.5
-
89
-
-
23044480075
-
Binding MOAD (Mother of All Databases)
-
Hu, L.G.; Benson, M.L.; Smith, R.D.; Lerner, M.G.; Carlson, H.A. Binding MOAD (Mother of All Databases). Proteins, 2005, 60, 333-340.
-
(2005)
Proteins
, vol.60
, pp. 333-340
-
-
Hu, L.G.1
Benson, M.L.2
Smith, R.D.3
Lerner, M.G.4
Carlson, H.A.5
-
90
-
-
38549115559
-
Binding MOAD, a high-quality protein-ligand database
-
Benson, M.L.; Smith, R.D.; Khazanov, N.A.; Dimcheff, B.; Beaver, J.; Dresslar, P.; Nerothin, J.; Carlson, H.A. Binding MOAD, a high-quality protein-ligand database. Nucleic Acids Res., 2008, 36, D674-D678.
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Benson, M.L.1
Smith, R.D.2
Khazanov, N.A.3
Dimcheff, B.4
Beaver, J.5
Dresslar, P.6
Nerothin, J.7
Carlson, H.A.8
-
91
-
-
78651287426
-
DrugBank 3.0: A comprehensive resource for 'Omics' research on drugs
-
Knox, C.; Law, V.; Jewison, T.; Liu, P.; Ly, S.; Frolkis, A.; Pon, A.; Banco, K.; Mak, C.; Neveu, V.; Djoumbou, Y.; Eisner, R.; Guo, A. C.; Wishart, D.S. DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs. Nucleic Acids Res., 2011, 39, D1035-D1041.
-
(2011)
Nucleic Acids Res.
, vol.39
-
-
Knox, C.1
Law, V.2
Jewison, T.3
Liu, P.4
Ly, S.5
Frolkis, A.6
Pon, A.7
Banco, K.8
Mak, C.9
Neveu, V.10
Djoumbou, Y.11
Eisner, R.12
Guo, A.C.13
Wishart, D.S.14
-
92
-
-
33644876210
-
DrugBank: A comprehensive resource for in silico drug discovery and exploration
-
Wishart, D.S.; Knox, C.; Guo, A.C.; Shrivastava, S.; Hassanali, M.; Stothard, P.; Chang, Z.; Woolsey, J. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res., 2006, 34, D668-D672.
-
(2006)
Nucleic Acids Res.
, vol.34
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Shrivastava, S.4
Hassanali, M.5
Stothard, P.6
Chang, Z.7
Woolsey, J.8
-
93
-
-
38549151817
-
DrugBank: A knowledgebase for drugs, drug actions and drug targets
-
Wishart, D.S.; Knox, C.; Guo, A.C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res., 2008, 36, D901-D906.
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Cheng, D.4
Shrivastava, S.5
Tzur, D.6
Gautam, B.7
Hassanali, M.8
-
94
-
-
33750991346
-
Benchmarking sets for molecular docking
-
Huang, N.; Shoichet, B.K.; Irwin, J.J. Benchmarking sets for molecular docking. J. Med. Chem., 2006, 49, 6789-6801.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6789-6801
-
-
Huang, N.1
Shoichet, B.K.2
Irwin, J.J.3
-
95
-
-
84864264343
-
Directory of useful decoys, enhanced (DUD-E): Better ligands and decoys for better benchmarking
-
Mysinger, M.M.; Carchia, M.; Irwin, J.J.; Shoichet, B.K. Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking. J. Med. Chem., 2012, 55, 6582-6594.
-
(2012)
J. Med. Chem.
, vol.55
, pp. 6582-6594
-
-
Mysinger, M.M.1
Carchia, M.2
Irwin, J.J.3
Shoichet, B.K.4
-
96
-
-
20444422149
-
The PDBbind database: Methodologies and updates
-
Wang, R.X.; Fang, X.L.; Lu, Y.P.; Yang, C.Y.; Wang, S.M. The PDBbind database: Methodologies and updates. J. Med. Chem., 2005, 48, 4111-4119.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 4111-4119
-
-
Wang, R.X.1
Fang, X.L.2
Lu, Y.P.3
Yang, C.Y.4
Wang, S.M.5
-
97
-
-
2542530042
-
The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures
-
Wang, R.X.; Fang, X.L.; Lu, Y.P.; Wang, S.M. The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J. Med. Chem., 2004, 47, 2977-2980.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2977-2980
-
-
Wang, R.X.1
Fang, X.L.2
Lu, Y.P.3
Wang, S.M.4
-
98
-
-
78651275182
-
Reactome: A database of reactions, pathways and biological processes
-
Croft, D.; O'Kelly, G.; Wu, G.M.; Haw, R.; Gillespie, M.; Matthews, L.; Caudy, M.; Garapati, P.; Gopinath, G.; Jassal, B.; Jupe, S.; Kalatskaya, I.; Mahajan, S.; May, B.; Ndegwa, N.; Schmidt, E.; Shamovsky, V.; Yung, C.; Birney, E.; Hermjakob, H.; D'Eustachio, P.; Stein, L. Reactome: a database of reactions, pathways and biological processes. Nucleic Acids Res., 2011, 39, D691-D697.
-
(2011)
Nucleic Acids Res.
, vol.39
-
-
Croft, D.1
O'Kelly, G.2
Wu, G.M.3
Haw, R.4
Gillespie, M.5
Matthews, L.6
Caudy, M.7
Garapati, P.8
Gopinath, G.9
Jassal, B.10
Jupe, S.11
Kalatskaya, I.12
Mahajan, S.13
May, B.14
Ndegwa, N.15
Schmidt, E.16
Shamovsky, V.17
Yung, C.18
Birney, E.19
Hermjakob, H.20
D'Eustachio, P.21
Stein, L.22
more..
-
99
-
-
75549091977
-
SMPDB: The Small Molecule Pathway Database
-
Frolkis, A.; Knox, C.; Lim, E.; Jewison, T.; Law, V.; Hau, D.D.; Liu, P.; Gautam, B.; Ly, S.; Guo, A.C.; Xia, J.G.; Liang, Y.J.; Shrivastava, S.; Wishart, D.S. SMPDB: The Small Molecule Pathway Database. Nucleic Acids Res., 2010, 38, D480-D487.
-
(2010)
Nucleic Acids Res.
, vol.38
-
-
Frolkis, A.1
Knox, C.2
Lim, E.3
Jewison, T.4
Law, V.5
Hau, D.D.6
Liu, P.7
Gautam, B.8
Ly, S.9
Guo, A.C.10
Xia, J.G.11
Liang, Y.J.12
Shrivastava, S.13
Wishart, D.S.14
-
100
-
-
75549087827
-
STITCH 2: An interaction network database for small molecules and proteins
-
Kuhn, M.; Szklarczyk, D.; Franceschini, A.; Campillos, M.; von Mering, C.; Jensen, L. J.; Beyer, A.; Bork, P. STITCH 2: an interaction network database for small molecules and proteins. Nucleic Acids Res., 2010, 38, D552-D556.
-
(2010)
Nucleic Acids Res.
, vol.38
-
-
Kuhn, M.1
Szklarczyk, D.2
Franceschini, A.3
Campillos, M.4
von Mering, C.5
Jensen, L.J.6
Beyer, A.7
Bork, P.8
-
101
-
-
38549130733
-
STITCH: Interaction networks of chemicals and proteins
-
Kuhn, M.; von Mering, C.; Campillos, M.; Jensen, L.J.; Bork, P. STITCH: interaction networks of chemicals and proteins. Nucleic Acids Res., 2008, 36, D684-D688.
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Kuhn, M.1
von Mering, C.2
Campillos, M.3
Jensen, L.J.4
Bork, P.5
|