Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics

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Bussi, Giovanni [1 ]
Gervasio, Francesco Luigi [1 ]
Laio, Alessandro [1 ,2 ]
Parrinello, Michele [1 ]
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[1] Computational Science, Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule Zürich, Via Buffi 13, CH-6900 Lugano, Switzerland
[2] Statistical and Biological Physićs, SISSA, Via Beirut 2, 3400 Trieste, Italy
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页码:13435 / 13441
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