Generalized ensembles: A new way of simulating proteins

Ulrich H.E. Hansmann

Physica A: Statistical Mechanics and its Applications, 1998, vol. 254, issue 1, 15-23

Abstract: I review the generalized ensemble approach for simulation of peptides and proteins. These molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in numerical simulations is alleviated by our ansatz.

Keywords: Generalized ensembles; Multiple minima problem; Protein folding (search for similar items in EconPapers)
Date: 1998
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:254:y:1998:i:1:p:15-23

DOI: 10.1016/S0378-4371(98)00009-0

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