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Back in Person: Frontiers in Medicinal Chemistry 2023.
ChemMedChem. 2023 Oct 4;18(19):e202300344. doi: 10.1002/cmdc.202300344. Epub 2023 Jul 24.
ChemMedChem. 2023.
PMID: 37485831
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Schindler CEM, Baumann H, Blum A, Böse D, Buchstaller HP, Burgdorf L, Cappel D, Chekler E, Czodrowski P, Dorsch D, Eguida MKI, Follows B, Fuchß T, Grädler U, Gunera J, Johnson T, Jorand Lebrun C, Karra S, Klein M, Knehans T, Koetzner L, Krier M, Leiendecker M, Leuthner B, Li L, Mochalkin I, Musil D, Neagu C, Rippmann F, Schiemann K, Schulz R, Steinbrecher T, Tanzer EM, Unzue Lopez A, Viacava Follis A, Wegener A, Kuhn D.
Schindler CEM, et al. Among authors: unzue lopez a.
J Chem Inf Model. 2020 Nov 23;60(11):5457-5474. doi: 10.1021/acs.jcim.0c00900. Epub 2020 Sep 3.
J Chem Inf Model. 2020.
PMID: 32813975
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