Testing a flexible-receptor docking algorithm in a model binding site

Journal of Molecular Biology

Volumn 337, Issue 5, 2004, Pages 1161-1182

  Wei, Binqing Q ^a   Weaver, Larry H ^b   Ferrari, Anna M ^a,c   Matthews, Brian W ^b   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF OREGON   (United States)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Conformational energy; Induced fit; L99A, Leu99 Ala mutant of T4 lysozyme; L99A M102Q, Leu99 Ala and Met102 Gln double mutant of T4 lysozyme; Molecular docking; RMSD, root mean square deviation; T4 lysozyme; X ray crystallography

Indexed keywords

LIGAND; LYSOZYME; RECEPTOR; THYMIDYLATE SYNTHASE;

ALGORITHM; ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; CONFORMATION; DATA BASE; ENZYME CONFORMATION; EVALUATION; HYDROPHOBICITY; MODEL; PRIORITY JOURNAL; X RAY CRYSTALLOGRAPHY;

EID: 1842471241     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2004.02.015     Document Type: Article

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