Molecular simulation as an aid to experimentalists

van Gunsteren, W.F., Dolenc, J. and Mark, A.E. (2008) Molecular simulation as an aid to experimentalists. Current Opinion In Structural Biology, 2008 18: 149-153. doi:10.1016/j.sbi.2007.12.007


Author van Gunsteren, W.F.
Dolenc, J.
Mark, A.E.
Title Molecular simulation as an aid to experimentalists
Journal name Current Opinion In Structural Biology   Check publisher's open access policy
ISSN 0959-440X
Publication date 2008-02-14
Year available 2008
Sub-type Critical review of research, literature review, critical commentary
DOI 10.1016/j.sbi.2007.12.007
Open Access Status
Volume 2008
Issue 18
Start page 149
End page 153
Total pages 5
Place of publication United Kingdom
Publisher Elsevier Ltd., Current Opinion Journals
Language eng
Subject C1
030402 Biomolecular Modelling and Design
030799 Theoretical and Computational Chemistry not elsewhere classified
970103 Expanding Knowledge in the Chemical Sciences
Abstract Computer-based molecular simulation techniques are increasingly used to interpret experimental data on biomolecular systems at an atomic level. Direct comparison between experiment and simulation is, however, seldom straightforward. The available experimental data are limited in scope and generally correspond to averages over both time and space. A critical analysis of the various factors that may influence the apparent degree of agreement between the results of simulations and experimentally measured quantities is presented and illustrated using examples from recent literature.
Keyword Biochemistry & Molecular Biology
Cell Biology
Biochemistry & Molecular Biology
Cell Biology
BIOCHEMISTRY & MOLECULAR BIOLOGY
CELL BIOLOGY
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Critical review of research, literature review, critical commentary
Collections: 2009 Higher Education Research Data Collection
School of Chemistry and Molecular Biosciences
 
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Citation counts: TR Web of Science Citation Count  Cited 111 times in Thomson Reuters Web of Science Article | Citations
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Created: Fri, 27 Mar 2009, 19:47:18 EST by Glenda Chown on behalf of School of Chemistry & Molecular Biosciences