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Broadening the Scope of Binding Free Energy Calculations Us..:
Baumann, Hannah M.
;
Dybeck, Eric
;
McClendon, Christopher L.
...
Journal of Chemical Theory and Computation. 19 (2023) 15 - p. 5058-5076 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00282
RT Journal T1
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00282&Exemplar=1&LAN=DE A1 Baumann, Hannah M. A1 Dybeck, Eric A1 McClendon, Christopher L. A1 Pickard IV, Frank C. A1 Gapsys, Vytautas A1 Pérez-Benito, Laura A1 Hahn, David F. A1 Tresadern, Gary A1 Mathiowetz, Alan M. A1 Mobley, David L. PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 15 SP 5058 OP 5076 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00282 DO https://doi.org/10.1021/acs.jctc.3c00282 SF ELIB - SuUB Bremen
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