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Volumn 13, Issue 10, 2013, Pages 1141-1151

Unconventional interaction forces in protein and protein-ligand systems and their Impacts to drug design

Author keywords

Amino acids; Aromatic amino acids; Cation interaction; Drug design; Ligand host interaction; Metallic cations; Organic cations; Protein structure; Quantum chemistry

Indexed keywords

AROMATIC AMINO ACID; CATION; HISTIDINE; IMIDAZOLE; PHENYLALANINE; PROTEIN; PROTON; TRYPTOPHAN; TYROSINE;

EID: 84962417597     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/15680266113139990002     Document Type: Article
Times cited : (13)

References (90)
  • 1
    • 77950448057 scopus 로고    scopus 로고
    • Predicting drug-target interaction networks based on functional groups and biological features
    • He, Z.; Zhang, J.; Shi, X. H.; Hu, L. L.; Kong, X.; Cai, Y. D, Chou, K.-C. Predicting drug-target interaction networks based on functional groups and biological features, PLoS One, 2010, 5, e9603.
    • (2010) PLoS One , vol.5
    • He, Z.1    Zhang, J.2    Shi, X.H.3    Hu, L.L.4    Kong, X.5    Cai, Y.D.6    Chou, K.-C.7
  • 2
    • 84859298511 scopus 로고    scopus 로고
    • Identification of colorectal cancer related genes with mRMR and shortest path in protein-protein interaction network
    • Li, B. Q.; Huang, T.; Liu, L.; Cai, Y. D, Identification of colorectal cancer related genes with mRMR and shortest path in protein-protein interaction network, PLoS One, 2012, 7, e33393.
    • (2012) PLoS One , vol.7
    • Li, B.Q.1    Huang, T.2    Liu, L.3    Cai, Y.D.4
  • 3
    • 77649339280 scopus 로고    scopus 로고
    • REVIEW Recent advances in developing web-servers for predicting protein attributes
    • Chou, Kuo-Chen; Shen, Hong-Bin. REVIEW: Recent advances in developing web-servers for predicting protein attributes, Natural Science, 2009, 1, 63-92.
    • (2009) Natural Science , vol.1 , pp. 63-92
    • Chou, K.-C.1    Shen, H.-B.2
  • 5
    • 79961193016 scopus 로고    scopus 로고
    • Predicting transcriptional activity of multiple site p53 mutants based on hybrid properties
    • Huang, T.; Niu, S.; Xu, Z.; Huang, Y.; Kong, X.; Cai, Y. D, Chou, K.-C. Predicting transcriptional activity of multiple site p53 mutants based on hybrid properties, PLoS One, 2011, 6, e22940.
    • (2011) PLoS One , vol.6
    • Huang, T.1    Niu, S.2    Xu, Z.3    Huang, Y.4    Kong, X.5    Cai, Y.D.6    Chou, K.-C.7
  • 6
    • 0030049315 scopus 로고    scopus 로고
    • Prediction of human immunodeficiency virus protease cleavage sites in proteins, Anal
    • Chou, K.-C. Prediction of human immunodeficiency virus protease cleavage sites in proteins, Anal. Biochem., 1996, 233, 1-14.
    • (1996) Biochem , vol.233 , pp. 1-14
    • Chou, K.-C.1
  • 7
    • 79960915175 scopus 로고    scopus 로고
    • Prediction of Body Fluids where Proteins are Secreted into Based on Protein Interaction Network
    • Hu, Le-Le; Huang, Tao; Cai, Yu-Dong, Chou, Kuo-Chen; Prediction of Body Fluids where Proteins are Secreted into Based on Protein Interaction Network, PLoS One, 2011, 6, e22989.
    • (2011) PLoS One , vol.6
    • Hu, L.-L.1    Huang, T.2    Cai, Y.-D.3    Chou, K.-C.4
  • 8
    • 77955199287 scopus 로고    scopus 로고
    • Analysis and Prediction of the Metabolic Stability of Proteins Based on Their Sequential Features, Subcellular Locations and Interaction Networks
    • Huang, Tao; Shi, Xiao-He; Wang, Ping; He, Zhisong; Feng, Kai-Yan; Hu, LeLe; Kong, Xiangyin; Li, Yi-Xue; Cai, Yu-Dong Analysis and Prediction of the Metabolic Stability of Proteins Based on Their Sequential Features, Subcellular Locations and Interaction Networks PLoS One, 2010, 5, e10972.
    • (2010) PLoS One , vol.5
    • Huang, T.1    Shi, X.-H.2    Wang, P.3    He, Z.4    Feng, K.-Y.5    Hu, L.6    Kong, X.7    Li, Y.-X.8    Cai, Y.-D.9
  • 9
    • 34247544233 scopus 로고    scopus 로고
    • Signal-CF: A subsite-coupled and window-fusing approach for predicting signal peptides
    • Chou, K.-C.; Shen, H. B. Signal-CF: a subsite-coupled and window-fusing approach for predicting signal peptides, Biochem. Biophys. Res. Commun., 2007, 357, 633-40.
    • (2007) Biochem. Biophys. Res Commun , vol.357 , pp. 633-640
    • Chou, K.-C.1    Shen, H.B.2
  • 10
    • 77954074097 scopus 로고    scopus 로고
    • Predicting the network of substrate-enzyme-product triads by combining compound similarity and functional domain composition
    • Chen, L.; Feng, K. Y.; Cai, Y. D.; Chou, K.-C, Li, H. P. Predicting the network of substrate-enzyme-product triads by combining compound similarity and functional domain composition, BMC Bioinform., 2010, 11, 293.
    • (2010) BMC Bioinform , vol.11 , pp. 293
    • Chen, L.1    Feng, K.Y.2    Cai, Y.D.3    Chou, K.-C.4    Li, H.P.5
  • 11
    • 84855641685 scopus 로고    scopus 로고
    • Using the accumulation-label scale to predict subcellular locations of human proteins with both single and multiple sites
    • Chou, K.-C.; Wu, Z. C, Xiao, X. iLoc-Hum using the accumulation-label scale to predict subcellular locations of human proteins with both single and multiple sites, Mol. Biosyst., 2012, 8, 629-41.
    • (2012) Mol Biosyst , vol.8 , pp. 629-641
    • Chou, K.-C.1    Wu, Z.C.2    Xiao, X.I.-H.3
  • 12
    • 78649458939 scopus 로고    scopus 로고
    • Analysis of protein pathway networks using hybrid properties
    • Chen, L.; Huang, T.; Shi, X. H.; Cai, Y. D, Chou, K.-C. Analysis of protein pathway networks using hybrid properties, Molecules, 2010, 15, 8177-92.
    • (2010) Molecules , vol.15 , pp. 8177-8192
    • Chen, L.1    Huang, T.2    Shi, X.H.3    Cai, Y.D.4    Chou, K.-C.5
  • 13
    • 80052855771 scopus 로고    scopus 로고
    • IDNA-Prot: Identification of DNA Binding Proteins Using Random Forest With Grey Model
    • Lin, W. Z.; Fang, J. A.; Xiao, X, Chou, K.-C. type=contributor>iDNA-Prot: identification of DNA binding proteins using random forest with grey model, PLoS One, 2011, 6, e24756.
    • (2011) PLoS One , vol.6
    • Lin, W.Z.1    Fang, J.A.2    Xiao, X.3    Chou, K.-C.4
  • 14
    • 0041848237 scopus 로고    scopus 로고
    • Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
    • Chou, K.-C.; Wei, D. Q, Zhong, W. Z. Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS, Biochem. Biophys. Res. Commun., 2003, 308, 148-51.
    • (2003) Biochem. Biophys. Res Commun , vol.308 , pp. 148-151
    • Chou, K.-C.1    Wei, D.Q.2    Zhong, W.Z.3
  • 15
    • 80053220447 scopus 로고    scopus 로고
    • Classification and analysis of regulatory pathways using graph property, biochemical and physicochemical property, and functional property
    • Huang, T.; Chen, L.; Cai, Y. D, Chou, K.-C. Classification and analysis of regulatory pathways using graph property, biochemical and physicochemical property, and functional property, PLoS One, 2011, 6, e25297.
    • (2011) PLoS One , vol.6
    • Huang, T.1    Chen, L.2    Cai, Y.D.3    Chou, K.-C.4
  • 16
    • 53149132374 scopus 로고    scopus 로고
    • ProtIdent: A web server for identifying proteases and their types by fusing functional domain and sequential evolution information
    • Chou, K.-C.; Shen, H. B. ProtIdent: a web server for identifying proteases and their types by fusing functional domain and sequential evolution information, Biochem. Biophys. Res. Commun., 2008, 376, 321-5.
    • (2008) Biochem. Biophys. Res Commun , vol.376 , pp. 321-325
    • Chou, K.-C.1    Shen, H.B.2
  • 18
    • 0035874091 scopus 로고    scopus 로고
    • Prediction of protein cellular attributes using pseudo-amino acid composition
    • Chou, K.-C. Prediction of protein cellular attributes using pseudo-amino acid composition, Proteins, 2001, 43, 246-55.
    • (2001) Proteins , vol.43 , pp. 246-255
    • Chou, K.-C.1
  • 19
    • 80051676719 scopus 로고    scopus 로고
    • NR-2L: A two-level predictor for identifying nuclear receptor subfamilies based on sequence-derived features
    • Wang, P.; Xiao, X, Chou, K.-C. NR-2L: a two-level predictor for identifying nuclear receptor subfamilies based on sequence-derived features, PLoS One, 2011, 6, e23505.
    • (2011) PLoS One , vol.6
    • Wang, P.1    Xiao, X.2    Chou, K.-C.3
  • 20
    • 79951606205 scopus 로고    scopus 로고
    • Predicting G Protein-coupled Receptors and Their Types By Hybridizing Two Different Modes of Pseudo Amino Acid Compositions
    • Xiao, X.; Wang, P, Chou, K.-C, predicting G protein-coupled receptors and their types by hybridizing two different modes of pseudo amino acid compositions, Mol. Biosyst., 2011, 7, 911-9.
    • (2011) Mol. Biosyst , vol.7 , pp. 911-919
    • Xiao, X.1    Wang, P.2    Chou, K.-C.3
  • 21
    • 84859499974 scopus 로고    scopus 로고
    • Hepatitis C virus network based classification of hepatocellular cirrhosis and carcinoma
    • Huang, T.; Wang, J.; Cai, Y. D.; Yu, H, Chou, K.-C. Hepatitis C virus network based classification of hepatocellular cirrhosis and carcinoma, PLoS One, 2012, 7, e34460.
    • (2012) PLoS One , vol.7
    • Huang, T.1    Wang, J.2    Cai, Y.D.3    Yu, H.4    Chou, K.-C.5
  • 22
    • 84859732713 scopus 로고    scopus 로고
    • Predicting Anatomical Therapeutic Chemical (ATC) classification of drugs by integrating chemical-chemical interactions and similarities
    • Chen, L.; Zeng, W. M.; Cai, Y. D.; Feng, K. Y, Chou, K.-C. Predicting Anatomical Therapeutic Chemical (ATC) classification of drugs by integrating chemical-chemical interactions and similarities, PLoS One, 2012, 7, e35254.
    • (2012) PLoS One , vol.7
    • Chen, L.1    Zeng, W.M.2    Cai, Y.D.3    Feng, K.Y.4    Chou, K.-C.5
  • 23
    • 84856347308 scopus 로고    scopus 로고
    • Predict and analyze S-nitrosylation modification sites with the mRMR and IFS approaches
    • Li, B. Q.; Hu, L. L.; Niu, S.; Cai, Y. D, Chou, K.-C. Predict and analyze S-nitrosylation modification sites with the mRMR and IFS approaches, J. Proteomics, 2012, 75, 1654-65.
    • (2012) J. Proteomics , vol.75 , pp. 1654-1665
    • Li, B.Q.1    Hu, L.L.2    Niu, S.3    Cai, Y.D.4    Chou, K.-C.5
  • 24
    • 84862792208 scopus 로고    scopus 로고
    • Deciphering the effects of gene deletion on yeast longevity using network and machine learning approaches
    • Huang, T.; Zhang, J.; Xu, Z. P.; Hu, L. L.; Chen, L.; Shao, J. L. Zhang, L.; Kong, X. Y.; Cai, Y. D, Chou, K.-C. Deciphering the effects of gene deletion on yeast longevity using network and machine learning approaches, Biochimie, 2012, 94, 1017-25.
    • (2012) Biochimie , vol.94 , pp. 1017-1025
    • Huang, T.1    Zhang, J.2    Xu, Z.P.3    Hu, L.L.4    Chen, L.5    Shao, J.L.6    Zhang, L.7    Kong, X.Y.8    Cai, Y.D.9    Chou, K.-C.10
  • 26
    • 84855263818 scopus 로고    scopus 로고
    • Predicting biological functions of compounds based on chemical-chemical interactions
    • Hu, L. L.; Chen, C.; Huang, T.; Cai, Y. D; Chou, K.-C. Predicting biological functions of compounds based on chemical-chemical interactions, PLoS One, 2011, 6, e29491.
    • (2011) PLoS One , vol.6
    • Hu, L.L.1    Chen, C.2    Huang, T.3    Cai, Y.D.4    Chou, K.-C.5
  • 27
    • 84860584265 scopus 로고    scopus 로고
    • Predicting protein-protein interactions by combing various sequence- derived features into the general form of Chou's Pseudo amino acid composition, Protein Pept
    • Zhao, X. W.; Ma, Z. Q; Yin, M. H. Predicting protein-protein interactions by combing various sequence- derived features into the general form of Chou's Pseudo amino acid composition, Protein Pept. Lett., 2012, 19, 492-500.
    • (2012) Lett , vol.19 , pp. 492-500
    • Zhao, X.W.1    Ma, Z.Q.2    Yin, M.H.3
  • 28
    • 45649083292 scopus 로고    scopus 로고
    • Predicting the cofactors of oxidoreductases based on amino acid composition distribution and Chou's amphiphilic pseudo-amino acid composition
    • Zhang, G. Y.; Fang, B. S. Predicting the cofactors of oxidoreductases based on amino acid composition distribution and Chou's amphiphilic pseudo-amino acid composition, J. Theor. Biol., 2008, 253, 310-5.
    • (2008) J. Theor. Biol , vol.253 , pp. 310-315
    • Zhang, G.Y.1    Fang, B.S.2
  • 29
    • 34548009150 scopus 로고    scopus 로고
    • Prediction of apoptosis protein subcellular location using improved hybrid approach and pseudo-amino acid composition
    • Chen, Y. L.; Li, Q. Z. Prediction of apoptosis protein subcellular location using improved hybrid approach and pseudo-amino acid composition, J. Theor. Biol., 2007, 248, 377-81.
    • (2007) J. Theor. Biol , vol.248 , pp. 377-381
    • Chen, Y.L.1    Li, Q.Z.2
  • 30
    • 77958497871 scopus 로고    scopus 로고
    • Prediction of cyclin proteins using Chou's pseudo amino acid composition, Protein Pept
    • Mohabatkar, H. Prediction of cyclin proteins using Chou's pseudo amino acid composition, Protein Pept. Lett., 2010, 17, 1207-14.
    • (2010) Lett , vol.17 , pp. 1207-1214
    • Mohabatkar, H.1
  • 31
    • 79955564229 scopus 로고    scopus 로고
    • Prediction of GABAA receptor proteins using the concept of Chou's pseudo- amino acid composition and support vector machine
    • Mohabatkar, H.; Mohammad Beigi, M; Esmaeili, A. Prediction of GABAA receptor proteins using the concept of Chou's pseudo- amino acid composition and support vector machine, J. Theor. Biol., 2011, 281, 18-23.
    • (2011) J. Theor. Biol , vol.281 , pp. 18-23
    • Mohabatkar, H.1    Mohammad, B.M.2    Esmaeili, A.3
  • 32
    • 84855690179 scopus 로고    scopus 로고
    • Prediction of metalloproteinase family based on the concept of Chou's pseudo amino acid composition using a machine learning approach
    • Mohammad Beigi, M.; Behjati, M; Mohabatkar, H. Prediction of metalloproteinase family based on the concept of Chou's pseudo amino acid composition using a machine learning approach, J. Struct. Funct. Genomics., 2011, 12, 191-7.
    • (2011) J. Struct. Funct. Genomics , vol.12 , pp. 191-197
    • Mohammad, B.M.1    Behjati, M.2    Mohabatkar, H.3
  • 33
    • 84863388188 scopus 로고    scopus 로고
    • Prediction of Protein Subcellular Multi-localization Based On the General Form of Chou's Pseudo Amino Acid Composition
    • Li, L. Q.; Zhang, Y.; Zou, L. Y.; Zhou, Y; Zheng, X. Q. Prediction of protein subcellular multi-localization based on the general form of Chou's pseudo amino acid composition, Protein Pept. Lett., 2012, 19, 375-87.
    • (2012) Protein Pept. Lett , vol.19 , pp. 375-387
    • Li, L.Q.1    Zhang, Y.2    Zou, L.Y.3    Zhou, Y.4    Zheng, X.Q.5
  • 34
    • 26844482366 scopus 로고    scopus 로고
    • 2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: A theoretical study
    • 2+, NH4+, and NMe4+] interactions with the aromatic motifs of naturally occurring amino acids: a theoretical study, J. Phys. Chem. A, 2005, 109, 8893-903.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 8893-8903
    • Reddy, A.S.1    Sastry, G.N.2
  • 35
    • 78650896793 scopus 로고    scopus 로고
    • Geometric effects in olefinic cation-πinteractions with alkali metals: A computational study
    • Engerer, L. K.; Hanusa, T. P. Geometric effects in olefinic cation-πinteractions with alkali metals: a computational study, J. Org. Chem., 2011, 76, 42-9.
    • (2011) J. Org. Chem , vol.76 , pp. 42-49
    • Engerer, L.K.1    Hanusa, T.P.2
  • 36
    • 58249089596 scopus 로고    scopus 로고
    • Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design
    • Du, Q.-S.; Huang, R. B.; Wei, Y. T.; Pang, Z. W.; Du, L. Q, Chou, K.-C. Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design, J. Comput. Chem., 2009, 30, 295-304.
    • (2009) J. Comput. Chem , vol.30 , pp. 295-304
    • Du, Q.-S.1    Huang, R.B.2    Wei, Y.T.3    Pang, Z.W.4    Du, L.Q.5    Chou, K.-C.6
  • 37
    • 67650073942 scopus 로고    scopus 로고
    • Investigation into adamantane-based M2 inhibitors with FB-QSAR
    • Wei, H.; Wang, C. H.; Du, Q.-S.; Meng, J; Chou, K.-C. Investigation into adamantane-based M2 inhibitors with FB-QSAR, Med. Chem., 2009, 5, 305-17.
    • (2009) Med. Chem. , vol.5 , pp. 305-317
    • Wei, H.1    Wang, C.H.2    Du, Q.-S.3    Meng, J.4    Chou, K.-C.5
  • 38
    • 37649025129 scopus 로고    scopus 로고
    • Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR)
    • Du, Q.-S.; Huang, R. B.; Wei, Y. T.; Du, L. Q; Chou, K.-C. Multiple field three dimensional quantitative structure-activity relationship (MF-3D-QSAR), J. Comput. Chem., 2008, 29, 211-9
    • (2008) J. Comput. Chem , vol.29 , pp. 211-219
    • Du, Q.-S.1    Huang, R.B.2    Wei, Y.T.3    Du, L.Q.4    Chou, K.-C.5
  • 39
    • 47349088078 scopus 로고    scopus 로고
    • Recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design
    • Du, Q.-S.; Huang, R. B; Chou, K.-C. Recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design, Curr. Protein. Pept. Sci., 2008, 9, 248-60.
    • (2008) Curr. Protein. Pept. Sci , vol.9 , pp. 248-260
    • Du, Q.-S.1    Huang, R.B.2    Chou, K.-C.3
  • 40
    • 84862002043 scopus 로고    scopus 로고
    • Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design
    • Du, Q.-S.; Gao, J.; Wei, Y. T.; Du, L. Q.; Wang, S. Q; Huang, R. B. Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design, J. Chem. Inf. Model., 2012.
    • (2012) J. Chem. Inf. Model
    • Du, Q.-S.1    Gao, J.2    Wei, Y.T.3    Du, L.Q.4    Wang, S.Q.5    Huang, R.B.6
  • 41
    • 0022450133 scopus 로고
    • Amino-aromatic interactions in proteins
    • Burley, S. K.; Petsko, G. A. Amino-aromatic interactions in proteins, FEBS Lett., 1986, 203, 139-43.
    • (1986) FEBS Lett , vol.203 , pp. 139-143
    • Burley, S.K.1    Petsko, G.A.2
  • 43
    • 16344389701 scopus 로고    scopus 로고
    • Cation-π interactions in protein-protein interface
    • Crowley, P. B.; Golovin, A. Cation-π interactions in protein-protein interfaces, Proteins, 2005, 59, 231-9.
    • (2005) Protein , vol.59 , pp. 231-239
    • Crowle, P.B.1    Golovi, A.2
  • 44
    • 35348997369 scopus 로고    scopus 로고
    • Cation-πinteractions of Bare and Coordinatively Saturated Metal Ions: Contrasting Structural and Energetic Characteristics
    • Reddy, A. S.; Zipse, H; Sastry, G. N. Cation-πinteractions of bare and coordinatively saturated metal ions: contrasting structural and energetic characteristics, J. Phys. Chem. B, 2007, 111, 11546-53.
    • (2007) J. Phys. Chem. B , vol.111 , pp. 11546-11553
    • Reddy, A.S.1    Zipse, H.2    Sastry, G.N.3
  • 45
    • 0345742702 scopus 로고    scopus 로고
    • Characterization of Cation-π Interactions In Aqueous Solution Using Deuterium Nuclear Magnetic Resonance Spectroscopy
    • Zhu, D.; Herbert, B. E.; Schlautman, M. A; Carraway, E. R. Characterization of cation-π interactions in aqueous solution using deuterium nuclear magnetic resonance spectroscopy, J. Environ. Qual., 2004, 33, 276-84.
    • (2004) J. Environ. Qual , vol.33 , pp. 276-284
    • Zhu, D.1    Herbert, B.E.2    Schlautman, M.A.3    Carraway, E.R.4
  • 48
    • 0024292833 scopus 로고
    • Aromatic rings act as hydrogen bond acceptors
    • Levitt, M.; Perutz, M. F. Aromatic rings act as hydrogen bond acceptors, J. Mol. Biol., 1988, 201, 751-4.
    • (1988) J. Mol. Biol , vol.201 , pp. 751-754
    • Levitt, M.1    Perutz, M.F.2
  • 50
    • 0036308878 scopus 로고    scopus 로고
    • Cation-π/H-bond stair motifs at protein-DNA interfaces
    • Rooman, M.; Lievin, J.; Buisine, E; Wintjens, R. Cation-π/H-bond stair motifs at protein-DNA interfaces, J. Mol. Biol., 2002, 319, 67-76.
    • (2002) J. Mol. Biol , vol.319 , pp. 67-76
    • Rooman, M.1    Lievin, J.2    Buisine, E.3    Wintjens, R.4
  • 51
    • 49349111901 scopus 로고    scopus 로고
    • On the cooperativity of cation-πand hydrogen bonding interactions
    • Vijay, D.; Zipse, H; Sastry, G. N. On the cooperativity of cation-πand hydrogen bonding interactions, J. Phys. Chem. B, 2008, 112, 8863-7.
    • (2008) J. Phys. Chem. B , vol.112 , pp. 8863-8867
    • Vijay, D.1    Zipse, H.2    Sastry, G.N.3
  • 52
    • 0028301445 scopus 로고
    • Amino/aromatic interactions in proteins: Is the evidence stacked against hydrogen bonding
    • Mitchell, J. B.; Nandi, C. L.; McDonald, I. K.; Thornton, J. M; Price, S. L. Amino/aromatic interactions in proteins: is the evidence stacked against hydrogen bonding?, J. Mol. Biol., 1994, 239, 315-31.
    • (1994) J. Mol. Biol , vol.239 , pp. 315-331
    • Mitchell, J.B.1    Nandi, C.L.2    McDonald, I.K.3    Thornton, J.M.4    Price, S.L.5
  • 53
    • 0000595956 scopus 로고
    • An efficient closed-shell singles and doubles coupled-cluster method
    • [] Lee, Timothy J.; Rice, Julia E. An efficient closed-shell singles and doubles coupled-cluster method, Chem. Phys. lett., 1988, 150, 406-415.
    • (1988) Chem. Phys. Lett , vol.150 , pp. 406-415
    • Lee, T.J.1    Rice, J.E.2
  • 54
    • 0035892194 scopus 로고    scopus 로고
    • Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study
    • Kar, Tapas; Pattanayak, Jayasree; Scheiner, Steve. Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study, J. Phys. Chem. A, 2001, 105, 10397-10403.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 10397-10403
    • Kar, T.1    Pattanayak, J.2    Scheiner, S.3
  • 55
    • 77449094466 scopus 로고    scopus 로고
    • Theoretical study of the interplay between lithium bond and hydrogen bond in complexes involved with HLi and HCN
    • Li, Q.; Hu, T.; An, X.; Li, W.; Cheng, J.; Gong, B; Sun, J. Theoretical study of the interplay between lithium bond and hydrogen bond in complexes involved with HLi and HCN, Chemphyschem, 2009, 10, 3310-5.
    • (2009) Chemphyschem , vol.10 , pp. 3310-3315
    • Li, Q.1    Hu, T.2    An, X.3    Li, W.4    Cheng, J.5    Gong, B.6    Sun, J.7
  • 56
    • 84857314406 scopus 로고    scopus 로고
    • Do Cation. Interactions Always Need to be 1:1?
    • Abraham, Sharon Achamma; Jose, Deepthi; Datta, Ayan. Do Cation. Interactions Always Need to be 1:1?, Chemphyschem, 2012, 13, 695-698.
    • (2012) Chemphyschem , vol.13 , pp. 695-698
    • Abraham, S.A.1    Jose, D.2    Datta, A.3
  • 57
    • 0002462375 scopus 로고    scopus 로고
    • A critical account on [small pi]-[small pi] stacking in metal complexes with aromatic nitrogen-containing ligands
    • Janiak, Christoph. A critical account on [small pi]-[small pi] stacking in metal complexes with aromatic nitrogen-containing ligands, J. Am. Chem. Soc. Dalton Trans., 2000, 0, 3885-3896.
    • (2000) J. Am. Chem. Soc. Dalton Trans , vol.0 , pp. 3885-3896
    • Janiak, C.1
  • 58
    • 0034665865 scopus 로고    scopus 로고
    • Contribution of cation-πinteractions to the stability of protein-DNA complexes
    • Wintjens, R.; Lievin, J.; Rooman, M; Buisine, E. Contribution of cation-πinteractions to the stability of protein-DNA complexes, J. Mol. Biol., 2000, 302, 395-410.
    • (2000) J. Mol. Biol , vol.302 , pp. 395-410
    • Wintjens, R.1    Lievin, J.2    Rooman, M.3    Buisine, E.4
  • 59
    • 0028153795 scopus 로고
    • Planar Stacking Interactions of Arginine and Aromatic Side-chains In Proteins
    • Flocco, M. M.; Mowbray, S. L. Planar stacking interactions of arginine and aromatic side-chains in proteins, J. Mol. Biol., 1994, 235, 709-17.
    • (1994) J. Mol. Biol , vol.235 , pp. 709-977
    • Flocco, M.M.1    Mowbray, S.L.2
  • 60
    • 0027402090 scopus 로고
    • Amino-aromatic interaction between histidine 197 of the neurokinin-1 receptor and CP 96345
    • Fong, T. M.; Cascieri, M. A.; Yu, H.; Bansal, A.; Swain, C; Strader, C. D. Amino-aromatic interaction between histidine 197 of the neurokinin-1 receptor and CP 96345, Nature, 1993, 362, 350-3.
    • (1993) Nature , vol.362 , pp. 350-353
    • Fong, T.M.1    Cascieri, M.A.2    Yu, H.3    Bansal, A.4    Swain, C.5    Strader, C.D.6
  • 61
    • 0346996697 scopus 로고    scopus 로고
    • Recognition of 5'-YpG-3' sequences by coupled stacking/hydrogen bonding interactions with amino acid residues
    • Lamoureux, J. S.; Maynes, J. T; Glover, J. N. Recognition of 5'-YpG-3' sequences by coupled stacking/hydrogen bonding interactions with amino acid residues, J. Mol. Biol., 2004, 335, 399-408.
    • (2004) J. Mol. Biol , vol.335 , pp. 399-408
    • Lamoureux, J.S.1    Maynes, J.T.2    Glover, J.N.3
  • 62
    • 57049148544 scopus 로고    scopus 로고
    • Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides
    • [] Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi. Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides, Organometallics, 2008, 27, 5911-5920.
    • (2008) Organometallics , vol.27 , pp. 5911-5920
    • Zhou, Y.1    Xi, Z.2    Chen, W.3    Wang, D.4
  • 63
    • 0242417008 scopus 로고    scopus 로고
    • Interactions with aromatic rings in chemical and biological recognition
    • Meyer, E. A.; Castellano, R. K; Diederich, F. Interactions with aromatic rings in chemical and biological recognition, Angew Chem. Int. Ed. Engl., 2003, 42, 1210-50.
    • (2003) Angew Chem. Int. Ed. Engl , vol.42 , pp. 1210-1250
    • Meyer, E.A.1    Castellano, R.K.2    Diederich, F.3
  • 64
    • 0033544354 scopus 로고    scopus 로고
    • Cation Interactions in Proteins Can Simple Models Provide an Accurate Description
    • Minoux, Hervé Chipot, Christophe. Cation Interactions in Proteins: Can Simple Models Provide an Accurate Description? J. Am. Chem. Soc., 1999, 121, 10366-10372.
    • (1999) J. Am. Chem. Soc , vol.121 , pp. 10366-10372
    • Minous, H.1    Chipot, C.2
  • 65
    • 44949146389 scopus 로고    scopus 로고
    • Do Special Noncovalent - Stacking Interactions Really Exist
    • Grimme, Stefan. Do Special Noncovalent - Stacking Interactions Really Exist? Angew Chem. Int. Ed. Engl., 2008, 47, 3430-3434.
    • (2008) Angew Chem. Int. Ed. Engl , vol.47 , pp. 3430-3434
    • Grimme, S.1
  • 66
    • 0027934562 scopus 로고
    • Geometry of interplanar residue contacts in protein structures, Proc
    • Brocchieri, L.; Karlin, S. Geometry of interplanar residue contacts in protein structures, Proc. Natl. Acad. Sci. U S A, 1994, 91, 9297-301.
    • (1994) Natl. Acad. Sci. U S A , vol.91 , pp. 9297-9301
    • Brocchieri, L.1    Karlin, S.2
  • 67
    • 0027436998 scopus 로고
    • A mechanism for ion selectivity in potassium channels: Computational studies of cation-π interactions
    • Kumpf, R. A.; Dougherty, D. A. A mechanism for ion selectivity in potassium channels: computational studies of cation-π interactions, Science, 1993, 261, 1708-10.
    • (1993) Science , vol.261 , pp. 1708-1710
    • Kumpf, R.A.1    Dougherty, D.A.2
  • 68
    • 0034317690 scopus 로고    scopus 로고
    • Molecular Clusters of Pi-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies
    • Kim, K. S.; Tarakeshwar, P; Lee, J. Y. type=contributor>Molecular Clusters of pi-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies, Chem. Rev., 2000, 100, 4145-86.
    • (2000) Chem. Rev , vol.100 , pp. 4145-4186
    • Kim, K.S.1    Tarakeshwar, P.2    Lee, J.Y.3
  • 69
    • 36549098398 scopus 로고
    • An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations
    • Scuseria, Gustavo E.; Janssen, Curtis L.;Schaefer Iii, Henry F. An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations, The Journal of Chemical Physics, 1988, 89, 7382-7387.
    • (1988) The Journal of Chemical Physics , vol.89 , pp. 7382-7387
    • Scuseria, G.E.1    Janssen, C.L.2    Schaefer, I.3    Henry, F.4
  • 70
    • 36549094556 scopus 로고
    • Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?
    • Scuseria, Gustavo E.; Schaefer Iii, Henry F. Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?, The Journal of Chemical Physics, 1989, 90, 3700-3703.
    • (1989) The Journal of Chemical Physics , vol.90 , pp. 3700-3703
    • Scuseria, G.E.1    Iii, S.2    Henry, F.3
  • 71
    • 0000122016 scopus 로고
    • A full coupled-cluster singles and doubles model: The inclusion of disconnected triples The inclusion of disconnected triples
    • Purvis Iii, George D.; Bartlett, Rodney J. A full coupled-cluster singles and doubles model: The inclusion of disconnected triples, The Journal of Chemical Physics, 1982, 76, 1910-1918.
    • (1982) The Journal of Chemical Physics , vol.76 , pp. 1910-1918
    • Iii, P.1    George, D.2    Bartlett, R.J.3
  • 72
    • 0039209924 scopus 로고
    • Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
    • Schafer, Ansgar; Huber, Christian; Ahlrichs, Reinhart. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr, The Journal of Chemical Physics, 1994, 100, 5829-5835.
    • (1994) The Journal of Chemical Physics , vol.100 , pp. 5829-5835
    • Schafer, A.1    Huber, C.2    Ahlrichs, R.3
  • 73
    • 84961974961 scopus 로고    scopus 로고
    • Analytical second derivatives of the free energy in solution by polarizable continuum models
    • Cossi, Maurizio; Barone, Vincenzo. Analytical second derivatives of the free energy in solution by polarizable continuum models, The Journal of Chemical Physics, 1998, 109, 6246-6254.
    • (1998) The Journal of Chemical Physics , vol.109 , pp. 6246-6254
    • Cossi, M.1    Barone, V.2
  • 74
    • 84946893847 scopus 로고
    • Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
    • Miertu, S.; Scrocco, E; Tomasi, J. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects, Chem. Phys., 1981, 55, 117-129.
    • (1981) Chem. Phys , vol.55 , pp. 117-129
    • Miertu, S.1    Scrocco, E.2    Tomasi, J.3
  • 75
    • 84962476304 scopus 로고    scopus 로고
    • Tomasi, Jacopo, Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model, in Advances in Quantum Chemistry
    • Academic Press
    • Amovilli, Claudio; Barone, Vincenzo; Cammi, Roberto; Cancès, Eric; Cossi, Maurizio; Mennucci, Benedetta; Pomelli, Christian S; Tomasi, Jacopo, Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model, in Advances in Quantum Chemistry, Löwdin Per-Olov, Editor. 1998, Academic Press. p. 227-261.
    • (1998) Löwdin Per-Olov, Editor , pp. 227-261
    • Amovilli, C.1    Barone, V.2    Cammi, R.3    Cancès, E.4    Cossi, M.5    Mennucci, B.6    Pomelli, C.S.7
  • 76
    • 1542356431 scopus 로고    scopus 로고
    • Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations
    • Foresman, James B.; Keith, Todd A.; Wiberg, Kenneth B.; Snoonian, John;Frisch, Michael J. Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations, The Journal of Physical Chemistry, 1996, 100, 16098-16104.
    • (1996) The Journal of Physical Chemistry , vol.100 , pp. 16098-16104
    • Foresman, J.B.1    Keith, T.A.2    Wiberg, K.B.3    Snoonian, J.4    Frisch, M.J.5
  • 77
    • 82555165779 scopus 로고    scopus 로고
    • Empirical formulation and parameterization of cation-πinteractions for protein modeling
    • Du, Q.-S.; Long, S. Y.; Meng, J. Z; Huang, R. B. Empirical formulation and parameterization of cation-πinteractions for protein modeling, J. Comput. Chem., 2012, 33, 153-62.
    • (2012) J. Comput. Chem , vol.33 , pp. 153-162
    • Du, Q.-S.1    Long, S.Y.2    Meng, J.Z.3    Huang, R.B.4
  • 78
    • 84962384864 scopus 로고    scopus 로고
    • Energies and physicochemical properties of cation-πinteractions in biological structures
    • Du, Q.-S.; Meng, J. Z.; Liao, S. M; Huang, R. B. Energies and physicochemical properties of cation-πinteractions in biological structures, J. Mol. Graph. Model., 2012, 34, 38-45.
    • (2012) J. Mol. Graph. Model , vol.34 , pp. 38-45
    • Du, Q.-S.1    Meng, J.Z.2    Liao, S.M.3    Huang, R.B.4
  • 79
    • 52049092047 scopus 로고    scopus 로고
    • Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT
    • Du, Q.-S.; Li, D. P.; Liu, P. J; Huang, R. B. Molecular potential energies in dodecahedron cell of methane hydrate and dispersion correction for DFT, J. Mol. Graph. Model., 2008, 27, 140-6.
    • (2008) J. Mol. Graph. Model , vol.27 , pp. 140-146
    • Du, Q.-S.1    Li, D.P.2    Liu, P.J.3    Huang, R.B.4
  • 80
    • 78449284624 scopus 로고    scopus 로고
    • 2+ and Zn2+) and water coordination on the structure and properties of L-histidine and zwitterionic L-histidine
    • 2+ and Zn2+) and water coordination on the structure and properties of L-histidine and zwitterionic L-histidine, Amino Acids, 2010, 39, 1309-19.
    • (2010) Amino Acids , vol.39 , pp. 1309-1319
    • Remko, M.1    Fitz, D.2    Rode, B.M.3
  • 81
    • 33750522306 scopus 로고    scopus 로고
    • Influence of dimensionality and charge on anion binding in amide- based macrocyclic receptors, Coord
    • Kang, Sung Ok; Hossain, Alamgir;Bowman-James, Kristin. Influence of dimensionality and charge on anion binding in amide- based macrocyclic receptors, Coord. Chem. Rev., 2006, 250, 15.
    • (2006) Chem. Rev , vol.250 , pp. 15
    • Kang, S.1    Ok, H.2    Alamgir, B.-J.K.3
  • 82
    • 4644339120 scopus 로고    scopus 로고
    • Alfred Werner's inorganic counterparts of racemic and mesomeric tartaric acid: A milestone revisited, Inorg
    • Jackson, W. G.; McKeon, J. A; Cortez, S. Alfred Werner's inorganic counterparts of racemic and mesomeric tartaric acid: a milestone revisited, Inorg. Chem., 2004, 43, 6249-54.
    • (2004) Chem , vol.43 , pp. 6249-6254
    • Jackson, W.G.1    McKeon, J.A.2    Cortez, S.3
  • 84
    • 2542593108 scopus 로고    scopus 로고
    • Dynamic devices. Shape switching and substrate binding in ion-controlled nanomechanical molecular tweezer
    • Petitjean, A.; Khoury, R. G.; Kyritsakas, N; Lehn, J. M. Dynamic devices. Shape switching and substrate binding in ion-controlled nanomechanical molecular tweezers, J. Am. Chem. Soc., 2004, 126, 6637-47.
    • (2004) J. Am. Chem. Soc , vol.126 , pp. 6637-6647
    • Petitjean, A.1    Khoury, R.G.2    Kyritsakas, N.3    Lehn, J.M.4
  • 85
    • 15944379585 scopus 로고    scopus 로고
    • Influence of The-interaction On the Hydrogen Bonding Capacity of Stacked DNA/RNA Bases
    • Mignon, P.; Loverix, S.; Steyaert, J; Geerlings, P. Influence of the-interaction on the hydrogen bonding capacity of stacked DNA/RNA bases, Nucleic Acids Res., 2005, 33, 1779-89.
    • (2005) Nucleic Acids Res , vol.33 , pp. 1779-1789
    • Mignon, P.1    Loverix, S.2    Steyaert, J.3    Geerlings, P.4
  • 87
    • 34548261773 scopus 로고    scopus 로고
    • Analogue inhibitors by modifying oseltamivir based on the crystal neuraminidase structure for treating drug-resistant H5N1 virus
    • Du, Q.-S.; Wang, S. Q; Chou, K.-C. Analogue inhibitors by modifying oseltamivir based on the crystal neuraminidase structure for treating drug-resistant H5N1 virus, Biochem. Biophys. Res. Commun., 2007, 362, 525-31.
    • (2007) Biochem. Biophys. Res Commun , vol.362 , pp. 525-531
    • Du, Q.-S.1    Wang, S.Q.2    Chou, K.-C.3
  • 88
    • 77949597169 scopus 로고    scopus 로고
    • Designing inhibitors of M2 proton channel against H1N1 swine influenza virus
    • Du, Q.-S.; Huang, R. B.; Wang, S. Q; Chou, K.-C. Designing inhibitors of M2 proton channel against H1N1 swine influenza virus, PLoS One, 2010, 5, e9388.
    • (2010) PLoS One , vol.5
    • Du, Q.-S.1    Huang, R.B.2    Wang, S.Q.3    Chou, K.-C.4
  • 89
    • 67349139888 scopus 로고    scopus 로고
    • Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus
    • Du, Q.-S. Huang, R. B.; Wang, C. H.; Li, X. M; Chou, K.-C. Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus, J. Theor. Biol., 2009, 259, 159-64.
    • (2009) J. Theor. Biol , vol.259 , pp. 159-164
    • Du, Q.-S.1    Huang, R.B.2    Wang, C.H.3    Li, X.M.4    Chou, K.-C.5
  • 90
    • 33846052414 scopus 로고    scopus 로고
    • Inhibitor design for SARS coronavirus main protease based on distorted key theory
    • Du, Q.-S, Sun, H, Chou, K.-C. Inhibitor design for SARS coronavirus main protease based on distorted key theory, Med. Chem., 2007, 3, 1-6.
    • (2007) Med. Chem , vol.3 , pp. 1-6
    • Du, Q.-S.1    Sun, H.2    Chou, K.-C.3


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