emle-engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations.
| Autor: | Zinovjev, Kirill, Hedges, Lester, Montagud Andreu, Rubén, Woods, Christopher, Tuñón, Iñaki, van der Kamp, Marc W. |
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| Zdroj: | Journal of Chemical Theory & Computation; 6/11/2024, Vol. 20 Issue 11, p4514-4522, 9p |
| Databáze: | Supplemental Index |
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