Adaptive simulations, towards interactive protein-ligand modeling

Abstract Modeling the dynamic nature of protein-ligand binding with atomistic simulations is one of the main challenges in computational biophysics, with important implications in the drug design process. Although in the past few years hardware and software advances have significantly revamped the u...

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Autores principales: Daniel Lecina, Joan F. Gilabert, Victor Guallar
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/c0134478081246958b225c6b67e92df0
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