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Journal of Computer-Aided Molecular Design

Volumn 15, Issue 12, 2001, Pages 1137-1152

Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools

(1) Boström, Jonas a

a ASTRAZENECA R AND D (Sweden)

Author keywords

Bioactive conformation; Catalyst; Comparison; Conformational analysis; Confort; Flo99; High resolution X ray crystallography; MacroModel; Omega

Indexed keywords

AMBER; CATALYSTS; CONFORMATIONS; EQUIVALENT CIRCUITS; PROTEINS; X RAY CRYSTALLOGRAPHY;

BIOACTIVE CONFORMATION; COMPARISON; CONFORMATIONAL ANALYSIS; CONFORT; FLO99; HIGH RESOLUTION; HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY; MACRO-MODELS; OMEGA; ]+ CATALYST;

LIGANDS;

4 (4 FLUOROPHENYL) 2 (4 HYDROXYPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; LIGAND; PROTEIN;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; CONTROLLED STUDY; GEOMETRY; INTERMETHOD COMPARISON; LIGAND BINDING; METHODOLOGY; PRIORITY JOURNAL; PROBABILITY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

EID: 0035555863 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1015930826903 Document Type: Article

Times cited : (174)

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