Protein-ligand informatics force field (PLIff): Toward a fully knowledge driven "force field" for biomolecular interactions

Journal of Medicinal Chemistry

Volumn 59, Issue 14, 2016, Pages 6891-6902

  Verdonk, Marcel L ^a   Ludlow, R Frederick ^a   Giangreco, Ilenia ^a,b,c   Rathi, Prakash Chandra ^a  

^a ASTEX PHARMACEUTICALS   (United Kingdom)

^b UNIVERSITY OF BARI   (Italy)

^c CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN;

ARTICLE; INFORMATION SCIENCE; KNOWLEDGE; MOLECULAR DOCKING; MOLECULAR INTERACTION; PREDICTION; PROTEIN LIGAND INFORMATICS FORCE FIELD; SCREENING; ALGORITHM; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; KNOWLEDGE BASE; MOLECULAR MODEL; PROTEIN DATABASE; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; KNOWLEDGE BASES; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84979902232     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.6b00716     Document Type: Article

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