Robust Free Energy Perturbation Protocols for Creating Molecules in Solution.
| Autor: | Cabeza de Vaca, Israel, Zarzuela, Ricardo, Tirado-Rives, Julian, Jorgensen, William L. |
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| Zdroj: | Journal of Chemical Theory & Computation; Jul2019, Vol. 15 Issue 7, p3941-3948, 8p |
| Databáze: | Supplemental Index |
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