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Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space., , and . J. Chem. Inf. Model., 62 (18): 4391-4402 (2022)Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 60 (4): 1911-1916 (2020)MMTF - An efficient file format for the transmission, visualization, and analysis of macromolecular structures., , , , , , and . PLoS Comput. Biol., (2017)BioJava 5: A community driven open-source bioinformatics library., , , , , , , , , and 3 other author(s). PLoS Comput. Biol., (2019)Generating property-matched decoy molecules using deep learning., , and . Bioinform., 37 (15): 2134-2141 (2021)Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning., , , , , and . Nat. Mac. Intell., 5 (4): 386-394 (April 2023)NGL viewer: web-based molecular graphics for large complexes., , , , , and . Bioinform., 34 (21): 3755-3758 (2018)MMTF—An efficient file format for the transmission, visualization, and analysis of macromolecular structures, , , , , , and . PLOS Computational Biology, 13 (6): 1-16 (June 2017)The RCSB protein data bank: integrative view of protein, gene and 3D structural information., , , , , , , , , and 19 other author(s). Nucleic Acids Res., 45 (Database-Issue): D271-D281 (2017)Deep Generative Models for 3D Linker Design., , , and . J. Chem. Inf. Model., 60 (4): 1983-1995 (2020)