Improvement of the Force Field for <i>β</i>-<span style="font-variant: small-caps">d</span>-Glucose with Machine Learning

While the construction of a dependable force field for performing classical molecular dynamics (MD) simulation is crucial for elucidating the structure and function of biomolecular systems, the attempts to do this for glycans are relatively sparse compared to those for proteins and nucleic acids. Cu...

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Auteurs principaux: Makoto Ikejo, Hirofumi Watanabe, Kohei Shimamura, Shigenori Tanaka
Format: article
Langue:EN
Publié: MDPI AG 2021
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Accès en ligne:https://doaj.org/article/c40d61b4b8744672a6bd528b30abbf99
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