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1 Ergebnisse
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phbuilder: A Tool for Efficiently Setting up Constant pH Mo..:
Jansen, Anton
;
Aho, Noora
;
Groenhof, Gerrit
..
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 567-574 , 2024
Link:
https://doi.org/10.1021/acs.jcim.3c01313
RT Journal T1 <Title>phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.3c01313&Exemplar=1&LAN=DE A1 Jansen, Anton A1 Aho, Noora A1 Groenhof, Gerrit A1 Buslaev, Pavel A1 Hess, Berk PB American Chemical Society (ACS) YR 2024 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 64 IS 3 SP 567 OP 574 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c01313 DO https://doi.org/10.1021/acs.jcim.3c01313 SF ELIB - SuUB Bremen
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