Hamiltonian replica-exchange simulations with adaptive biasing of peptide backbone and side chain dihedral angles

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 35(2014), 2 vom: 15. Jan., Seite 150-8
Auteur principal: Ostermeir, Katja (Auteur)
Autres auteurs: Zacharias, Martin
Format: Article en ligne
Langue:English
Publié: 2014
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't accelerated sampling conformational sampling force field calculation molecular dynamics simulations peptide and protein folding potential scaling Oligopeptides Peptides plus... Trp-cage peptide chignolin