GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models.
| Autor: | Jung, Jaewoon, Yagi, Kiyoshi, Tan, Cheng, Oshima, Hiraku, Mori, Takaharu, Yu, Isseki, Matsunaga, Yasuhiro, Kobayashi, Chigusa, Ito, Shingo, Ugarte La Torre, Diego, Sugita, Yuji |
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| Zdroj: | Journal of Physical Chemistry B; 6/27/2024, Vol. 128 Issue 25, p6028-6048, 21p |
| Databáze: | Supplemental Index |
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