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Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening., , , , and . Journal of Chemical Information and Modeling, 56 (10): 2053-2060 (2016)QligFEP: an automated workflow for small molecule free energy calculations in Q., , , and . J. Cheminformatics, 11 (1): 26:1-26:16 (2019)Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations., , , , , , and . PLoS Comput. Biol., (2021)UnCorrupt SMILES: a novel approach to de novo design., , , and . J. Cheminformatics, 15 (1): 22 (December 2023)Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 60 (9): 4283-4295 (2020)3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors., , , , , , , and . J. Cheminformatics, 15 (1): 74 (December 2023)Papyrus: a large-scale curated dataset aimed at bioactivity predictions., , , , , and . J. Cheminformatics, 15 (1): 3 (2023)