Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets

Autor:	Agastya P. Bhati, Art Hoti, Andrew Potterton, Mateusz K. Bieniek, Peter V. Coveney
Rok vydání:	2023
Předmět:	Physical and Theoretical Chemistry Computer Science Applications
Zdroj:	Journal of Chemical Theory and Computation.
ISSN:	1549-9626 1549-9618
DOI:	10.1021/acs.jctc.3c00020
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4774a027af94670eb33cca9671267719 https://doi.org/10.1021/acs.jctc.3c00020 Zobrazit plný text záznamu