Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism

Journal of Chemical Theory and Computation, 2025, 21, 12342−12355.

Roca, M.; Maghsoud, Y.; Cisneros, G.A.; Świderek, K.; Moliner, V.

Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism.

Article page: https://pubs.acs.org/doi/full/10.1021/acs.jctc.5c01399