Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems.
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| Title: | Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems. |
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| Authors: | Ocetkiewicz, Krzysztof M.1, Czaplewski, Cezary1,2,3, Krawczyk, Henryk1,4, Lipska, Agnieszka G.1, Liwo, Adam1,2, Proficz, Jerzy1, Sieradzan, Adam K.1,2,3, Czarnul, Paweł1,4, pczarnul@eti.pg.edu.pl |
| Source: | Computer Physics Communications; May2024, Vol. 298, pN.PAG-N.PAG, 1p |
| Database: | Applied Science & Technology Source |
| ISSN: | 00104655 |
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| DOI: | 10.1016/j.cpc.2024.109112 |