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1 Ergebnisse
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Comparing alchemical and physical pathway methods for compu..:
Deng, Nanjie
;
Cui, Di
;
Zhang, Bin W.
...
Physical Chemistry Chemical Physics. 20 (2018) 25 - p. 17081-17092 , 2018
Link:
https://doi.org/10.1039/c8cp01524d
RT Journal T1 <Title>Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_c8cp01524d&Exemplar=1&LAN=DE A1 Deng, Nanjie A1 Cui, Di A1 Zhang, Bin W. A1 Xia, Junchao A1 Cruz, Jeffrey A1 Levy, Ronald PB Royal Society of Chemistry (RSC) YR 2018 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 20 IS 25 SP 17081 OP 17092 LK http://dx.doi.org/https://doi.org/10.1039/c8cp01524d DO https://doi.org/10.1039/c8cp01524d SF ELIB - SuUB Bremen
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