DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 5, 2001, Pages 411-428

  Ewing, Todd J A ^a,b   Makino, Shingo ^a,c   Skillman, A Geoffrey ^a,d   Kuntz, Irwin D ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Camitro Corporation   (United States)

^c AJINOMOTO CO INC   (Japan)

^d OpenEye Scientific Software Inc   (United States)

Author keywords

Database searching; Flexible docking; Incremental construction; Molecular docking; Virtual screening

Indexed keywords

DOCKS; HYDRAULIC STRUCTURES; MOLECULAR MODELING; MOLECULES; SEARCH ENGINES;

CRYSTALLOGRAPHIC POSITION; DATABASE SEARCHING; FLEXIBLE DOCKING; FLEXIBLE MOLECULES; INCREMENTAL CONSTRUCTION; MOLECULAR DOCKING; RANDOM SEARCHES; SEARCH STRATEGIES; TEST CASE; VIRTUAL SCREENING;

DATABASE SYSTEMS;

LIGAND;

ALGORITHM; ARTICLE; AUTOMATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER PROGRAM; CONFORMATION; CONTROLLED STUDY; DATA BASE; LIGAND BINDING; PRIORITY JOURNAL; RANDOMIZATION; SCORING SYSTEM; TECHNIQUE; X RAY CRYSTALLOGRAPHY;

EID: 0035025191     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011115820450     Document Type: Article

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