Journal
CURRENT OPINION IN STRUCTURAL BIOLOGY
Volume 18, Issue 2, Pages 149-153Publisher
CURRENT BIOLOGY LTD
DOI: 10.1016/j.sbi.2007.12.007
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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.
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