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Molecular simulations by generalized-ensemble algorithms in isothermal–isobaric ensemble

Generalized-ensemble algorithms are powerful techniques for investigating biomolecules such as protein, DNA, lipid membrane, and glycan. The generalized-ensemble algorithms were originally developed in the canonical ensemble. On the other hand, not only temperature but also pressure is controlled in...

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Détails bibliographiques
Publié dans:Biophys Rev
Auteurs principaux: Yamauchi, Masataka, Mori, Yoshiharu, Okumura, Hisashi
Format: Artigo
Langue:Inglês
Publié: Springer Berlin Heidelberg 2019
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6557965/
https://ncbi.nlm.nih.gov/pubmed/31115865
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s12551-019-00537-y
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