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PMID: 16055547 Published · ppublish English Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S.

The role of shape in determining molecular motions.

Biophysical journal ·Vol. 89 ·No. 4 ·2005-10-00 ·Pages 2395-401

Lu M, Ma J

Abstract

We examined the role of molecular shape in determining the patterns of low-frequency deformational motions of biological macromolecules. The low-frequency subspace of eigenvectors in normal mode analysis was found to be robustly similar upon randomization of the Hessian matrix elements as long as the structure of the matrix is maintained, which indicates that the global shape of molecules plays a more dominant role in determining the highly anisotropic low-frequency motions than the absolute values of stiffness and directionality of local interactions. The results provided a quantitative foundation for the validity of elastic normal mode analysis.

MeSH Terms
Biopolymers/chemistry Elasticity Macromolecular Substances/chemistry Models, Chemical Models, Molecular Molecular Conformation Motion Structure-Activity Relationship
Chemicals
Biopolymers Macromolecular Substances
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Lu Mingyang
Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX 77030, USA.
Ma Jianpeng
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Article Info
Journal
Biophysical journal
Abbr.
Biophys J
ISSN
0006-3495
DOI
10.1529/biophysj.105.065904
Published
2005-10-00
Epub
2005-00-29
Pages
2395-401
Language
English
Region
United States
NLM ID
0370626
PMCID
PMC1366739
Subset
IM
Grants
NIGMS NIH HHS · R01 GM067801 · United States
NIGMS NIH HHS · R01-GM067801 · United States
External Links
PubMed source DOI: 10.1529/biophysj.105.065904 PMC Full Text View journal details
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