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Adaptive simulations, towards interactive protein-ligand modeling

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 use of mol...

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Detalles Bibliográficos
Autores principales:	Lecina, Daniel, Gilabert, Joan F., Guallar, Victor
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5559483/ https://www.ncbi.nlm.nih.gov/pubmed/28814780 http://dx.doi.org/10.1038/s41598-017-08445-5

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