Accelerating molecular modeling applications with graphics processors

Journal of Computational Chemistry

Volumn 28, Issue 16, 2007, Pages 2618-2640

  Stone, John E ^a   Phillips, James C ^a   Freddolino, Peter L ^a   Hardy, David J ^a   Trabuco, Leonardo G ^a   Schulten, Klaus ^a,b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b University of Illinois at Urbana Champaign   (United States)

Author keywords

CUDA; Electrostatic potential; GPU computing; Graphics processing unit; Ion placement; Molecular dynamics; Molecular modeling; Multilevel summation; Multithreading; Parallel computing

Indexed keywords

CUDA; ELECTROSTATIC POTENTIALS; GPU COMPUTING; GRAPHICS PROCESSING UNIT; ION PLACEMENT; MULTILEVEL SUMMATION; MULTITHREADING;

COMPUTATIONAL METHODS; COMPUTER HARDWARE; MOLECULAR MECHANICS; PARALLEL PROCESSING SYSTEMS; PROGRAM PROCESSORS; SOFTWARE ARCHITECTURE;

MOLECULAR MODELING;

ION; RIBOZYME; TRANSFER RNA;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER; COMPUTER SIMULATION; CRYSTALLIZATION; ELECTRICITY; INSTRUMENTATION; THREE DIMENSIONAL IMAGING;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; COMPUTERS; CRYSTALLIZATION; ELECTROSTATICS; IMAGING, THREE-DIMENSIONAL; IONS; MODELS, MOLECULAR; RNA, CATALYTIC; RNA, TRANSFER;

EID: 35948963714     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20829     Document Type: Article

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