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Best Practices in Constant pH MD Simulations: Accuracy and ..:
Buslaev, Pavel
;
Aho, Noora
;
Jansen, Anton
...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6134-6147 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00517
RT Journal T1 <Title>Best Practices in Constant pH MD Simulations: Accuracy and Sampling</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00517&Exemplar=1&LAN=DE A1 Buslaev, Pavel A1 Aho, Noora A1 Jansen, Anton A1 Bauer, Paul A1 Hess, Berk A1 Groenhof, Gerrit PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 10 SP 6134 OP 6147 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00517 DO https://doi.org/10.1021/acs.jctc.2c00517 SF ELIB - SuUB Bremen
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