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D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds.

, , , , , , , , and . J. Chem. Inf. Model., 64 (3): 724-736 (2024)

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D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening., , , , , , , , , and 1 other author(s). Comput. Biol. Medicine, (September 2023)Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses., , , , , , , and . Comput. Biol. Medicine, (2022)D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds., , , , , , , , and . J. Chem. Inf. Model., 64 (3): 724-736 (2024)Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 62 (18): 4512-4522 (2022)Global Solvability and Stability of an Alarm-Taxis System., , and . SIAM J. Math. Anal., 55 (4): 2838-2876 (August 2023)Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations., , , , , , and . Briefings Bioinform., (2022)D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19., , , , , , , , , and 2 other author(s). Briefings Bioinform., (2022)Global solvability of a class of reaction-diffusion systems with cross-diffusion., and . Appl. Math. Lett., (2022)Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery., , , , , , , , , and 2 other author(s). Comput. Biol. Medicine, (February 2023)