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Volumn 4, Issue 9, 2013, Pages 812-814

Computer-aided drug design: Using numbers to your advantage

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; ALGORITHM; COMPUTER AIDED DESIGN; DRUG DESIGN; MACHINE LEARNING; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL; PROTEIN FOLDING; REVIEW; SAMPLING ERROR; SIMULATION;

EID: 84884253104     PISSN: None     EISSN: 19485875     Source Type: Journal    
DOI: 10.1021/ml4002634     Document Type: Review
Times cited : (19)

References (14)
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    • Complete Reconstruction of an Enzyme-Inhibitor Binding Process by Molecular Dynamics Simulations
    • Buch, I.; Giorgino, T.; De Fabritiis, G. Complete Reconstruction of an Enzyme-Inhibitor Binding Process by Molecular Dynamics Simulations Proc. Natl. Acad. Sci. 2011, 108, 10184-10189
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    • Buch, I.1    Giorgino, T.2    De Fabritiis, G.3
  • 8
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    • The Effects of Computational Modeling Errors on the Estimation of Statistical Mechanical Variables
    • Faver, J. C.; Yang, W.; Merz, K. M., Jr. The Effects of Computational Modeling Errors on the Estimation of Statistical Mechanical Variables J. Chem. Theory Comput. 2012, 8, 3769-3776
    • (2012) J. Chem. Theory Comput. , vol.8 , pp. 3769-3776
    • Faver, J.C.1    Yang, W.2    Merz Jr., K.M.3
  • 9
    • 0036382728 scopus 로고    scopus 로고
    • A Model Binding Site for Testing Scoring Functions in Molecular Docking
    • Wei, B. Q.; Baase, W. A.; Weaver, L. H.; Matthews, B. W.; Shoichet, B. K. A Model Binding Site for Testing Scoring Functions in Molecular Docking J. Mol. Biol. 2002, 322, 339-355
    • (2002) J. Mol. Biol. , vol.322 , pp. 339-355
    • Wei, B.Q.1    Baase, W.A.2    Weaver, L.H.3    Matthews, B.W.4    Shoichet, B.K.5
  • 10
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    • Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "blurring"
    • submitted.
    • Ucisik, M. N.; Zheng, Z.; Faver, J. C.; Merz, K. M., Jr. Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring". J. Chem. Theory Comput., submitted.
    • J. Chem. Theory Comput.
    • Ucisik, M.N.1    Zheng, Z.2    Faver, J.C.3    Merz Jr., K.M.4
  • 11
    • 0033576680 scopus 로고    scopus 로고
    • Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
    • Charifson, P. S.; Corkery, J. J.; Murcko, M. A.; Walters, W. P. Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins J. Med. Chem. 1999, 42, 5100-5109
    • (1999) J. Med. Chem. , vol.42 , pp. 5100-5109
    • Charifson, P.S.1    Corkery, J.J.2    Murcko, M.A.3    Walters, W.P.4
  • 12
    • 0035438402 scopus 로고    scopus 로고
    • How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
    • Wang, R. X.; Wang, S. M. How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment J. Chem. Inf. Comput. Sci. 2001, 41, 1422-1426
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1422-1426
    • Wang, R.X.1    Wang, S.M.2
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    • An Empirical Comparison of Voting Classification Algorithms: Bagging, Boosting, and Variants
    • Bauer, E.; Kohavi, R. An Empirical Comparison of Voting Classification Algorithms: Bagging, Boosting, and Variants Mach. Learn. 1999, 36, 105-139
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.