VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers

Journal of Computational Chemistry

Volumn 34, Issue 25, 2013, Pages 2212-2221

  Ellingson, Sally R ^a,b   Smith, Jeremy C ^a,b   Baudry, Jerome ^a,b  

^a UNIVERSITY OF TENNESSEE   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

drug discovery; high performance computing; high throughput docking; multiprotein docking

Indexed keywords

DISTRIBUTION SCHEME; DRUG DISCOVERY; HIGH-PERFORMANCE COMPUTERS; HIGH-PERFORMANCE COMPUTING; HIGH-THROUGHPUT DOCKING; MASSIVELY PARALLELS; MESSAGE PASSING INTERFACE; MULTIPLE RECEPTORS;

COMPUTATIONAL CHEMISTRY;

CHEMISTRY;

EID: 84882639480     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23367     Document Type: Article

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