Lennard-jones potential and dummy atom settings to overcome the AUTODOCK limitation in treating flexible ring systems

Journal of Chemical Information and Modeling

Volumn 47, Issue 4, 2007, Pages 1481-1492

  Forli, Stefano ^a   Botta, Maurizio ^a  

^a UNIVERSITY OF SIENA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; LIGANDS; MEAN SQUARE ERROR; PARAMETER ESTIMATION; X RAY CRYSTALLOGRAPHY;

INTRAMOLECULAR INTERACTIONS; MACROCYCLE FLEXIBILITY; X-RAY CRYSTALLOGRAPHIC STRUCTURE;

MOLECULAR INTERACTIONS;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CYCLIZATION; VALIDATION STUDY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; CYCLIZATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 34547668723     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700036j     Document Type: Article

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