TEMPERATURE ECHOES IN MOLECULAR-DYNAMICS SIMULATIONS OF PROTEINS

被引：23
|
作者：
BECKER, OM
KARPLUS, M
机构：
[1] Department of Chemistry, Harvard University, Cambridge
来源：
PHYSICAL REVIEW LETTERS | 1993年 / 70卷 / 22期
关键词：
D O I：
10.1103/PhysRevLett.70.3514
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Temperature echoes, which were first found in simulations of a simple Lennard-Jones glass, are demonstrated to exist in molecular dynamics simulations of a globular protein. Sequences of cooling and heating pulses make possible a study of protein vibrational modes as a function of temperature. Double cooling pulse echoes are used for estimating the density of states. Implications of the results for the glasslike behavior of proteins are discussed.
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页码：3514 / 3517
页数：4
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