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Journal of Chemical Information and Modeling|August 14, 2020
Exploring Cocrystallized Aromatic Cage Binders to Target Histone Methylation Reader ProteinsJianyu Li, Aurélien F A Moumbock, Stefan GüntherNucleic Acids Research|September 28, 2021
CovPDB: a high-resolution coverage of the covalent protein-ligand interactomeMingjie Gao, Aurélien F A Moumbock, Ammar Qaseem, et al.Archiv Der Pharmazie|October 31, 2022
BC-11 is a covalent TMPRSS2 fragment inhibitor that impedes SARS-CoV-2 host cell entryAurélien F A Moumbock, Hoai T T Tran, Evelyn Lamy, et al.Computational and Structural Biotechnology Journal|November 26, 2019
Current computational methods for predicting protein interactions of natural productsAurélien F A Moumbock, Jianyu Li, Pankaj Mishra, et al.ACS Pharmacology & Translational Science|March 20, 2025
Synthesis and Biological Evaluation of Metamorphine: A Morphine-Metamizole Adduct from Patient-Controlled Analgesia PumpsAly Abotaleb, Aurélien F A Moumbock, Rainer Trittler, et al.Journal of Chemical Information and Modeling|November 5, 2021
AroCageDB: A Web-Based Resource for Aromatic Cage Binding Sites and Their Intrinsic LigandsJianyu Li, Aurélien F A Moumbock, Ammar Qaseem, et al.Plos Computational Biology|February 18, 2022
Towards the prediction of non-peptidic epitopesPaul F Zierep, Randi Vita, Nina Blazeska, et al.Molecular Informatics|September 23, 2020
Pharmacoinformatic Investigation of Medicinal Plants from East AfricaConrad V Simoben, Ammar Qaseem, Aurélien F A Moumbock, et al.Journal of Chemical Information and Modeling|July 8, 2021
ePharmaLib: A Versatile Library of e-Pharmacophores to Address Small-Molecule (Poly-)PharmacologyAurélien F A Moumbock, Jianyu Li, Hoai T T Tran, et al.Plos Neglected Tropical Diseases|November 11, 2025
Potent kinase inhibitors from the Merck KGaA OGHL: Novel hits against Trypanosoma brucei with potential for repurposingDarline Dize, Aurélien F A Moumbock, Vianey C Tchuenguia, et al.Pageof 3