ShaEP: Molecular overlay based on shape and electrostatic potential

Journal of Chemical Information and Modeling

Volumn 49, Issue 2, 2009, Pages 492-502

  Vainio, Mikko J ^a   Puranen, J Santeri ^a   Johnson, Mark S ^a  

^a ÅBO AKADEMI UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

DIGITAL LIBRARIES; ELECTROSTATICS; MOLECULES; SCAFFOLDS;

CHARACTERISTIC POINT; ELECTROSTATIC POTENTIALS; INTERACTION FIELDS; MOLECULAR SURFACES; SIMILARITY EVALUATION; TEMPLATE STRUCTURES; VOLUMETRIC APPROACH; VOLUMETRIC METHODS;

GRAPH ALGORITHMS;

ARTICLE; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; STATIC ELECTRICITY; X RAY;

CLUSTER ANALYSIS; MOLECULAR STRUCTURE; STATIC ELECTRICITY; X-RAYS;

EID: 65249167560     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800315d     Document Type: Article

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