High-throughput virtual molecular docking with AutoDockCloud

Concurrency and Computation: Practice and Experience

Volumn 26, Issue 4, 2014, Pages 907-916

  Ellingson, Sally R ^a,b   Baudry, Jerome ^a,b  

^a UNIVERSITY OF TENNESSEE   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

cloud computing; drug discovery; Hadoop; high throughput virtual docking

Indexed keywords

BINDING ENERGY; CHEMICAL MODIFICATION; CLOUD COMPUTING; COMPUTATIONAL METHODS; DRUG PRODUCTS; MOLECULES; OPEN SYSTEMS;

COMPUTER-AIDED DRUG DISCOVERY; DOCKING PROCEDURES; DRUG DISCOVERY; HADOOP; HIGH THROUGHPUT; HIGH THROUGHPUT SCREENING; OAK RIDGE NATIONAL LABORATORY; SMALL-MOLECULE DRUGS;

MOLECULAR MODELING;

EID: 84894273072     PISSN: 15320626     EISSN: 15320634     Source Type: Journal    
DOI: 10.1002/cpe.2926     Document Type: Article

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