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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Biophysical Society of Japan
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7671739/ https://www.ncbi.nlm.nih.gov/pubmed/33240741 http://dx.doi.org/10.2142/biophysico.BSJ-2020013 |