메뉴 건너뛰기




Volumn 313, Issue 1, 2001, Pages 197-214

A fragment library based on Gaussian mixtures predicting favorable molecular interactions

Author keywords

Bayes' theorem; Expectation maximization algorithm; Gaussian mixture model; Prior and conditional probabilities; Protein ligand recognition

Indexed keywords

ADENINE; FUNGAL PROTEIN; LIGAND; OXYGEN; POLYDEOXYRIBONUCLEOTIDE SYNTHASE; WATER;

EID: 0035850756     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.2001.5023     Document Type: Article
Times cited : (27)

References (42)
  • 3
    • 0021871375 scopus 로고
    • A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
    • (1985) J. Med. Chem. , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 4
    • 0027510004 scopus 로고
    • Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds
    • (1993) J. Med. Chem. , vol.36 , pp. 148-156
    • Wade, R.C.1    Goodford, P.J.2
  • 5
    • 0027439587 scopus 로고
    • Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds
    • (1993) J. Med. Chem. , vol.36 , pp. 140-147
    • Wade, R.C.1    Clark, K.J.2    Goodford, P.J.3
  • 12
    • 0028522983 scopus 로고
    • On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three dimensional structure
    • (1994) J. Comput. Aided Mol. Des. , vol.8 , pp. 623-632
    • Böhm, H.J.1
  • 13
    • 0028287528 scopus 로고
    • The use of composite crystal-field environments in molecular recognition and de novo design of protein ligands
    • (1994) J. Mol. Biol. , vol.237 , pp. 212-235
    • Klebe, G.1
  • 14
    • 0028881193 scopus 로고
    • Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity
    • (1995) Protein Eng. , vol.8 , pp. 677-691
    • Verkhivker, G.1    Appelt, K.2    Freer, S.T.3    Villafranca, J.E.4
  • 17


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.