CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma

Journal of Chemical Information and Modeling

Volumn 56, Issue 6, 2016, Pages 1063-1077

  Carlson, Heather A ^a   Smith, Richard D ^a   Damm Ganamet, Kelly L ^a   Stuckey, Jeanne A ^a   Ahmed, Aqeel ^a   Convery, Maire A ^b   Somers, Donald O ^b   Kranz, Michael ^b   Elkins, Patricia A ^c   Cui, Guanglei ^c   Peishoff, Catherine E ^c   Lambert, Millard H ^c   Dunbar, James B ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b GLAXOSMITHKLINE   (United Kingdom)

^c GLAXOSMITHKLINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPLEXATION; CRYSTALS; DOCKS; HYDRAULIC STRUCTURES; KNOWLEDGE BASED SYSTEMS; PROTEINS;

FLEXIBLE LIGANDS; METHYLTRANSFERASES; MULTIPLE TARGETS; PROTEIN STRUCTURES; PROTEIN-LIGAND COMPLEXES; SPLEEN TYROSINE KINASE; STATISTICAL SIGNIFICANCE; UNIVERSITY OF MICHIGAN;

LIGANDS;

BLOOD CLOTTING FACTOR 10A; LIGAND; PROTEIN; PROTEIN KINASE SYK; TRANSFER RNA METHYLTRANSFERASE;

BENCHMARKING; CHEMISTRY; DRUG DATABASE; DRUG DESIGN; METABOLISM; MOLECULAR DOCKING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

BENCHMARKING; DATABASES, PHARMACEUTICAL; DRUG DESIGN; FACTOR XA; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; SYK KINASE; TRNA METHYLTRANSFERASES;

EID: 84976522313     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00523     Document Type: Article

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