Short nonbonded contact distances in organic molecules and their use as atom-clash criteria in conformer validation and searching

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 897-908

  Taylor, Robin ^a  

^a Taylor Cheminformatics Software   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CRYSTAL ATOMIC STRUCTURE; HYDROGEN BONDS; MOLECULAR MODELING; MOLECULES; VAN DER WAALS FORCES;

CAMBRIDGE STRUCTURAL DATABASE; CONFORMATIONAL SEARCH; CRYSTAL STRUCTURE DATA; DISTANCE DISTRIBUTIONS; INTRA-MOLECULAR HYDROGEN BONDS; ORGANIC MOLECULES; PROTEIN LIGANDS; VAN DER WAALS RADIUS;

CONFORMATIONS;

AROMATIC HYDROCARBON;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; FACTUAL DATABASE; HYDROGEN BOND;

DATABASES, FACTUAL; HYDROCARBONS, AROMATIC; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOFTWARE;

EID: 79955390825     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100466h     Document Type: Article

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