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PMID: 17161367 Published · ppublish English Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't

Stability and dynamics of virus capsids described by coarse-grained modeling.

Structure (London, England : 1993) ·Vol. 14 ·No. 12 ·2006-12-00 ·Pages 1767-77

Arkhipov A, Freddolino PL, Schulten K

Abstract

We report a study of the structural dynamics of viral capsids, simulated on a microsecond timescale, by employing a coarse-graining molecular dynamics method. The method was calibrated against an all-atom simulation of one complete virus. Among the studied capsids, some collapsed rapidly, while others were found to be stable. Interlocking between coat proteins is found to be a key factor determining the stability of the capsids.

MeSH Terms

Biochemistry/methods Calibration Capsid/chemistry,metabolism Computational Biology/methods Computer Simulation Computers Models, Molecular Models, Statistical Molecular Conformation Protein Binding Protein Conformation Time Factors User-Computer Interface Viral Proteins/chemistry,metabolism

Chemicals

Viral Proteins

Authors & Affiliations

3 authors, click to expand affiliations / ORCID

Arkhipov Anton

Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

Freddolino Peter L

Schulten Klaus

Article Info

Journal

Structure (London, England : 1993)

Abbr.

Structure

ISSN

0969-2126

DOI

10.1016/j.str.2006.10.003

Published

2006-12-00

Pages

1767-77

Language

English

Region

United States

NLM ID

101087697

Subset

Grants

NCRR NIH HHS · 5-P41-RR05969 · United States

External Links

PubMed source DOI: 10.1016/j.str.2006.10.003 View journal details

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Stability and dynamics of virus capsids described by coarse-grained modeling.

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