JCPE Journal
Online ISSN : 1883-8367
Print ISSN : 1344-9826
ISSN-L : 1344-9826
Anisotropic motion within a protein : comparison between X-ray crystallography and molecular dynamics simulation of Human Lysozyme
Yuto KomeijiKazuaki HarataYutaka UenoMasami Uebayasi
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2000 年 12 巻 1 号 p. 39-48

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抄録
Anisotropic motion within Human Lysozyme was compared between experiment and computer simulation. Thermal ellipsoids for Cα atoms were compared between the temperature factors from the X-ray crystallography and molecular dynamics simulation. The agreement between the experiment and the simulation was not good, however. Possible explanations for the disagreement are discussed.
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© Society of Computer Chemistry, Japan
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