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1 Ergebnisse
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Binding free energies in the SAMPL6 octa-acid host–guest ch..:
Caldararu, Octav
;
Olsson, Martin A.
;
Misini Ignjatović, Majda
..
Journal of Computer-Aided Molecular Design. 32 (2018) 10 - p. 1027-1046 , 2018
Link:
https://doi.org/10.1007/s10822-018-0158-2
RT Journal T1
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
UL https://suche.suub.uni-bremen.de/peid=cr-10.1007_s10822-018-0158-2&Exemplar=1&LAN=DE A1 Caldararu, Octav A1 Olsson, Martin A. A1 Misini Ignjatović, Majda A1 Wang, Meiting A1 Ryde, Ulf PB Springer Science and Business Media LLC YR 2018 SN 0920-654X SN 1573-4951 JF Journal of Computer-Aided Molecular Design VO 32 IS 10 SP 1027 OP 1046 LK http://dx.doi.org/https://doi.org/10.1007/s10822-018-0158-2 DO https://doi.org/10.1007/s10822-018-0158-2 SF ELIB - SuUB Bremen
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