On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations
Pereyaslavets, Leonid, Kurnikov, Igor, Kamath, Ganesh, Butin, Oleg, Illarionov, Alexey, Leontyev, Igor, Olevanov, Michael, Levitt, Michael, Kornberg, Roger D., Fain, BorisJournal:
Proceedings of the National Academy of Sciences
DOI:
10.1073/pnas.1806064115
Date:
August, 2018
File:
PDF, 981 KB
2018
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