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pro vyhledávání: '"James Joseph Lawniczak"'
Autor:
James Joseph Lawniczak, Saleh Riahi, Thomas F. Miller, Leanne D. Chen, Frederick R. Manby, Sukrit Mukhopadhyay, Peter J. Bygrave, Feizhi Ding
Publikováno v:
Journal of Chemical Theory and Computation. 16:4226-4237
Decreasing the wall-clock time of quantum mechanics/molecular mechanics (QM/MM) calculations without sacrificing accuracy is a crucial prerequisite for widespread simulation of solution-phase dynamical processes. In this work, we demonstrate the use
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e604c49da619851531b9d675e3830f5e
https://doi.org/10.1021/acs.jctc.0c00169
https://doi.org/10.1021/acs.jctc.0c00169
