myPresto/omegagene 2020: a molecular dynamics simulation engine for virtual-system coupled sampling

The molecular dynamics (MD) method is a promising approach for investigating the molecular mechanisms of microscopic phenomena. In particular, generalized ensemble MD methods can efficiently explore the conformational space with a rugged free-energy surface. However, the implementation and acquisiti...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Biophys Physicobiol
Hauptverfasser: Kasahara, Kota, Terazawa, Hiroki, Itaya, Hayato, Goto, Satoshi, Nakamura, Haruki, Takahashi, Takuya, Higo, Junichi
Format: Artigo
Sprache:Inglês
Veröffentlicht: The Biophysical Society of Japan 2020
Schlagworte:
Database and Computer Program
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7671739/
https://ncbi.nlm.nih.gov/pubmed/33240741
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2142/biophysico.BSJ-2020013
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