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myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme
Molecular dynamics (MD) is a promising computational approach to investigate dynamical behavior of molecular systems at the atomic level. Here, we present a new MD simulation engine named “myPresto/omegagene” that is tailored for enhanced conformational sampling methods with a non-Ewald electrostati...
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| Опубликовано в: : | Biophys Physicobiol |
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| Главные авторы: | , , , , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
The Biophysical Society of Japan (BSJ)
2016
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5060096/ https://ncbi.nlm.nih.gov/pubmed/27924276 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2142/biophysico.13.0_209 |
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