Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
In: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design, Jg. 30 (2016-11-01), Heft 11, S. 977-988
Online
academicJournal
Zugriff:
Titel: |
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
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Autor/in / Beteiligte Person: | Kamath, Ganesh ; Kurnikov, Igor ; Fain, Boris ; Leontyev, Igor ; Illarionov, Alexey ; Butin, Oleg ; Olevanov, Michael ; Pereyaslavets, Leonid |
Link: | |
Zeitschrift: | Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design, Jg. 30 (2016-11-01), Heft 11, S. 977-988 |
Veröffentlichung: | 2016 |
Medientyp: | academicJournal |
ISSN: | 0920-654X (print) ; 1573-4951 (print) |
DOI: | 10.1007/s10822-016-9958-4 |
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