Journal home
Advance online publication
Current issue
Archive
Press releases
Supplements
Focus
Guide to authors
Online submissionOnline submission
Permissions
For referees
Free online issue
Contact the journal
Subscribe
Advertising
work@npg
naturereprints
About this site
For librarians
 
NPG Resources
Nature
Nature Cell Biology
Nature Reviews Molecular Cell Biology
The EMBO Journal
Nature Reports Avian Flu
NPG Subject areas
Biotechnology
Cancer
Chemistry
Clinical Medicine
Dentistry
Development
Drug Discovery
Earth Sciences
Evolution & Ecology
Genetics
Immunology
Materials Science
Medical Research
Microbiology
Molecular Cell Biology
Neuroscience
Pharmacology
Physics
Browse all publications
Review
Nature Structural Biology  9, 646 - 652 (2002)
doi:10.1038/nsb0902-646


There is a Corrigendum (October 2002) associated with this Review.

Molecular dynamics simulations of biomolecules

Martin Karplus1, 2 & J. Andrew McCammon3

1  Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA.

2  Laboratoire de Chimie Biophysique, ISIS, Université Louis Pasteur, 67000 Strasbourg, France.

3  Howard Hughes Medical Institute, Department of Chemistry and Biochemistry, Department of Pharmacology, University of California at San Diego, La Jolla, California 92093-0365, USA.

Correspondence should be addressed to Martin Karplus marci@tammy.harvard.edu
Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules. The early view of proteins as relatively rigid structures has been replaced by a dynamic model in which the internal motions and resulting conformational changes play an essential role in their function. This review presents a brief description of the origin and early uses of biomolecular simulations. It then outlines some recent studies that illustrate the utility of such simulations and closes with a discussion of their ever-increasing potential for contributing to biology.

MORE ARTICLES LIKE THIS
These links to content published by NPG are automatically generated

REFERENCE
Molecular Dynamics
Nature Encyclopaedia of Life Sciences
Nuclear Magnetic Resonance (NMR) Spectroscopy for Monitoring Molecular Dynamics in Solution
Nature Encyclopaedia of Life Sciences

NEWS AND VIEWS
Physical chemistry: The protean proton in water
Nature News and Views (18 Feb 1999)
May the driving force be with you — whatever it is
Nature Structural Biology News and Views (01 Jan 2000)
 See all 3 matches for News And Views

RESEARCH
Solvent mobility and the protein 'glass' transition
Nature Structural Biology Letters (01 Jan 2000)

 Top
Abstract
Previous | Next
Table of contents
Full textFull text
Download PDFDownload PDF
Send to a friendSend to a friend
Save this linkSave this link

Open Innovation Challenges

naturejobs

Figures & Tables
Export citation
natureproducts

Search buyers guide:

 
ADVERTISEMENT
 
Nature Structural & Molecular Biology
ISSN: 1545-9993
EISSN: 1545-9985
Journal home | Advance online publication | Current issue | Archive | Press releases | Supplements | For authors | Online submission | Permissions | For referees | Free online issue | About the journal | Contact the journal | Subscribe | Advertising | work@npg | naturereprints | About this site | For librarians
Nature Publishing Group, publisher of Nature, and other science journals and reference works©2002 Nature Publishing Group | Privacy policy