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
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 large-scale simulations, one of the authors (M.S.) accelerated his own software COSMOS...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 28(2007), 6 vom: 30. Apr., Seite 1129-36 |
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| Format: | Aufsatz |
| Sprache: | English |
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2007
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Amino Acids Protein Subunits Water 059QF0KO0R Hemoglobin A 9034-51-9 |