A 45-ns molecular dynamics simulation of hemoglobin in water by vectorizing and parallelizing COSMOS90 on the earth simulator: Dynamics of tertiary and quaternary structures

Journal of Computational Chemistry

Volumn 28, Issue 6, 2007, Pages 1129-1136

  Saito, Minoru ^a   Okazaki, Isao ^a  

^a HIROSAKI UNIVERSITY   (Japan)

Author keywords

Fluctuation; Parallel computer; Side chain conformation; Structural change

Indexed keywords

COMPUTER SIMULATION; HEMOGLOBIN; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PARALLEL PROCESSING SYSTEMS; X RAY ANALYSIS;

EARTH SIMULATORS; PARALLEL COMPUTERS; SIDE CHAIN CONFORMATION; STRUCTURAL CHANGE;

MOLECULAR DYNAMICS;

AMINO ACID; HEMOGLOBIN A; PROTEIN SUBUNIT; WATER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; MATHEMATICAL COMPUTING; PROTEIN CONFORMATION; PROTEIN QUATERNARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; AMINO ACIDS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HEMOGLOBIN A; HUMANS; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN STRUCTURE, QUATERNARY; PROTEIN STRUCTURE, TERTIARY; PROTEIN SUBUNITS; WATER;

EID: 33947730315     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20640     Document Type: Article

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