TEMPERATURE ECHOES IN MOLECULAR-DYNAMICS SIMULATIONS OF PROTEINS

Authors
BECKER OM KARPLUS M
Citation
Om. Becker et M. Karplus, TEMPERATURE ECHOES IN MOLECULAR-DYNAMICS SIMULATIONS OF PROTEINS, Physical review letters, 70(22), 1993, pp. 3514-3517
Citations number
38
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
70
Issue
22
Year of publication
1993
Pages
3514 - 3517
Database
ISI
SICI code
0031-9007(1993)70:22<3514:TEIMSO>2.0.ZU;2-5
Abstract
Temperature echoes, which were first found in simulations of a simple Lennard-Jones glass, are demonstrated to exist in molecular dynamics s imulations of a globular protein. Sequences of cooling and heating pul ses make possible a study of protein vibrational modes as a function o f temperature. Double cooling pulse echoes are used for estimating the density of states. Implications of the results for the glasslike beha vior of proteins are discussed.