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1 Ergebnisse
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Can Free Energy Perturbation Simulations Coupled with Repli..:
Lockhart, Christopher
;
Luo, Xingyu
;
Olson, Audrey
...
Journal of Chemical Information and Modeling. 63 (2023) 15 - p. 4791-4802 , 2023
Link:
https://doi.org/10.1021/acs.jcim.3c00631
RT Journal T1 <Title>Can Free Energy Perturbation Simulations Coupled with Replica-Exchange Molecular Dynamics Study Ligands with Distributed Binding Sites?</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.3c00631&Exemplar=1&LAN=DE A1 Lockhart, Christopher A1 Luo, Xingyu A1 Olson, Audrey A1 Delfing, Bryan M. A1 Laracuente, Xavier E. A1 Foreman, Kenneth W. A1 Paige, Mikell A1 Kehn-Hall, Kylene A1 Klimov, Dmitri K. PB American Chemical Society (ACS) YR 2023 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 63 IS 15 SP 4791 OP 4802 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c00631 DO https://doi.org/10.1021/acs.jcim.3c00631 SF ELIB - SuUB Bremen
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