Format

Send to

Choose Destination
See comment in PubMed Commons below
Nature. 1990 Oct 18;347(6294):631-9.

Molecular dynamics simulations in biology.

Author information

1
Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138.

Abstract

Molecular dynamics--the science of simulating the motions of a system of particles--applied to biological macromolecules gives the fluctuations in the relative positions of the atoms in a protein or in DNA as a function of time. Knowledge of these motions provides insights into biological phenomena such as the role of flexibility in ligand binding and the rapid solvation of the electron transfer state in photosynthesis. Molecular dynamics is also being used to determine protein structures from NMR, to refine protein X-ray crystal structures faster from poorer starting models, and to calculate the free energy changes resulting from mutations in proteins.

PMID:
2215695
DOI:
10.1038/347631a0
[Indexed for MEDLINE]
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Nature Publishing Group
    Loading ...
    Support Center