Journal article
Molecular simulation as an aid to experimentalists.
- van Gunsteren WF Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, CH-8093 Zurich, Switzerland. wfvgn@igc.phys.chem.ethz.ch
- Dolenc J
- Mark AE
- 2008-02-19
Published in:
- Current opinion in structural biology. - 2008
English
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.
- Language
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- English
- Open access status
- closed
- Identifiers
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- DOI 10.1016/j.sbi.2007.12.007
- PMID 18280138
- Persistent URL
- https://sonar.ch/global/documents/71760
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