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1 Ergebnisse
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Relative free-energy calculations for scaffold hopping-type..:
Ries, Benjamin
;
Normak, Karl
;
Weiß, R. Gregor
...
Journal of Computer-Aided Molecular Design. 36 (2022) 2 - p. 117-130 , 2022
Link:
https://doi.org/10.1007/s10822-021-00436-z
RT Journal T1 <Title>Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1007_s10822-021-00436-z&Exemplar=1&LAN=DE A1 Ries, Benjamin A1 Normak, Karl A1 Weiß, R. Gregor A1 Rieder, Salomé A1 Barros, Emília P. A1 Champion, Candide A1 König, Gerhard A1 Riniker, Sereina PB Springer Science and Business Media LLC YR 2022 SN 0920-654X SN 1573-4951 JF Journal of Computer-Aided Molecular Design VO 36 IS 2 SP 117 OP 130 LK http://dx.doi.org/https://doi.org/10.1007/s10822-021-00436-z DO https://doi.org/10.1007/s10822-021-00436-z SF ELIB - SuUB Bremen
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