A 45-ns molecular dynamics simulation of
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Minoru Saito; Isao Okazaki
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Article
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2007
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John Wiley and Sons
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English
β 550 KB
## Abstract Molecular dynamics (MD) simulations of human adult hemoglobin (HbA) were carried out for 45 ns in water with all degrees of freedom including bond stretching and without any artificial constraints. To perform such largeβscale simulations, one of the authors (M.S.) accelerated his own so