Long timescale simulations

Authors
Citation
V. Daggett, Long timescale simulations, CURR OP STR, 10(2), 2000, pp. 160-164
Citations number
35
Categorie Soggetti
Biochemistry & Biophysics
Journal title
CURRENT OPINION IN STRUCTURAL BIOLOGY
ISSN journal
0959440X → ACNP
Volume
10
Issue
2
Year of publication
2000
Pages
160 - 164
Database
ISI
SICI code
0959-440X(200004)10:2<160:LTS>2.0.ZU;2-7
Abstract
Computers are becoming increasingly fast, making it possible to perform sim ulations of macromolecules on timescales that were previously inaccessible. Questions have arisen concerning how well we are keeping up with computer power and the state of the art with respect to long molecular dynamics simu lations in solvent. More importantly however, simulations of macromolecules are performed to aid the understanding of biochemical phenomena. So, what are we learning from longer simulations and are they providing reliable ins ight into protein dynamics, conformational behavior and function?