High-throughput calculation of protein-ligand binding affinities: Modification and adaptation of the MM-PBSA protocol to enterprise grid computing

Journal of Chemical Information and Modeling

Volumn 46, Issue 3, 2006, Pages 999-1005

  Brown, Scott P ^a   Muchmore, Steven W ^a  

^a ABBOTT LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; NETWORK PROTOCOLS; PERSONAL COMPUTERS; PERSONNEL; THROUGHPUT;

BINDING AFFINITIES; CPU; GRID COMPUTING; MOLECULAR MECHANICS WITH POISSON-BOLTZMANN SURFACE AREA (MM-PBSA) METHODOLOGY;

PROTEINS;

LIGAND; PROTEIN;

ARTICLE; DRUG DESIGN; METABOLISM; POISSON DISTRIBUTION; PROTEIN BINDING;

DRUG DESIGN; LIGANDS; POISSON DISTRIBUTION; PROTEIN BINDING; PROTEINS;

EID: 33745405015     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050488t     Document Type: Article

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