Assessing the performance of OMEGA with respect to retrieving bioactive conformations

Journal of Molecular Graphics and Modelling

Volumn 21, Issue 5, 2003, Pages 449-462

  Boström, Jonas ^a   Greenwood, Jeremy R ^b   Gottfries, Johan ^a  

^a ASTRAZENECA R AND D   (Sweden)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Bioactive conformations; Conformational analysis; High resolution X ray crystallography; OMEGA; Shape searching

Indexed keywords

BIOACTIVE CONFORMATIONS; LIGAND-PROTEIN COMPLEXES;

PERFORMANCE; X RAY CRYSTALLOGRAPHY;

MOLECULES;

LIGAND;

ARTICLE; COMPUTER PROGRAM; CONFORMATION; DATA BASE; ENERGY; EXPERIMENTAL MODEL; INFORMATION RETRIEVAL; PARAMETER; PRIORITY JOURNAL; STATISTICAL SIGNIFICANCE; TECHNIQUE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; COMPUTER SIMULATION; DATABASES, FACTUAL; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTEINS; STATISTICS;

EID: 0347296066     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(02)00204-8     Document Type: Article

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