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1 Ergebnisse
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Novel Physics-Based Ensemble Modeling Approach That Utilize..:
Hong, Richard S.
;
Mattei, Alessandra
;
Sheikh, Ahmad Y.
...
Journal of Chemical Information and Modeling. 61 (2021) 3 - p. 1412-1426 , 2021
Link:
https://doi.org/10.1021/acs.jcim.0c01410
RT Journal T1 <Title>Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.0c01410&Exemplar=1&LAN=DE A1 Hong, Richard S. A1 Mattei, Alessandra A1 Sheikh, Ahmad Y. A1 Bhardwaj, Rajni Miglani A1 Bellucci, Michael A. A1 McDaniel, Keith F. A1 Pierce, M. Olivia A1 Sun, Guangxu A1 Li, Sizhu A1 Wang, Lingle A1 Mondal, Sayan A1 Ji, Jianguo A1 Borchardt, Thomas B. PB American Chemical Society (ACS) YR 2021 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 61 IS 3 SP 1412 OP 1426 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.0c01410 DO https://doi.org/10.1021/acs.jcim.0c01410 SF ELIB - SuUB Bremen
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