Format

Send to

Choose Destination
Curr Opin Struct Biol. 2000 Apr;10(2):160-4.

Long timescale simulations.

Author information

1
Department of Medicinal Chemistry, University of Washington, Seattle, WA 98195-7610, USA. daggett@u.washington.edu

Abstract

Computers are becoming increasingly fast, making it possible to perform simulations 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 simulations 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 insight into protein dynamics, conformational behavior and function?

PMID:
10753819
[Indexed for MEDLINE]

Supplemental Content

Full text links

Icon for Elsevier Science
Loading ...
Support Center