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Autor:
Dalibor Trapl, Martin Krupička, Vladimír Višňovský, Jana Hozzová, Jaroslav Ol’ha, Aleš Křenek, Vojtěch Spiwok
Publikováno v:
Journal of Chemical Information and Modeling. 62:567-576
The accuracy of biomolecular simulations depends on the accuracy of an empirical molecular mechanics potential known as a force field: a set of parameters and expressions to estimate the potential from atomic coordinates. Accurate parametrization of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b3b69f3d8564be356e40aaa9fbc0509
https://doi.org/10.1021/acs.jcim.1c00651
https://doi.org/10.1021/acs.jcim.1c00651
