Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer
© 2023 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 20 vom: 30. Juli, Seite 1740-1749 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2023
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't MBAR biomolecular simulations enhanced conformational sampling free energy calculation high performance computing molecular dynamics parallel computing replica-exchange MD |
| Accès en ligne |
Volltext |