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Curr Opin Struct Biol. 2008 Feb;18(1):4-9. doi: 10.1016/j.sbi.2007.11.007. Epub 2008 Feb 1.

Combining experiment and simulation in protein folding: closing the gap for small model systems.

Author information

1
Biomolecular Structure & Design Program, University of Washington, Seattle, WA 98195, USA.

Abstract

All-atom molecular dynamics (MD) simulations on increasingly powerful computers have been combined with experiments to characterize protein folding in detail over wider time ranges. The folding of small ultrafast folding proteins is being simulated on micros timescales, leading to improved structural predictions and folding rates. To what extent is 'closing the gap' between simulation and experiment for such systems providing insights into general mechanisms of protein folding?

PMID:
18242977
PMCID:
PMC2291534
DOI:
10.1016/j.sbi.2007.11.007
[Indexed for MEDLINE]
Free PMC Article

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