D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds.
J. Chem. Inf. Model., 2024
Unexpected effect of halogenation on the water solubility of small organic compounds.
Comput. Biol. Medicine, 2024
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening.
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Comput. Biol. Medicine, September, 2023
Quantitative Assessment of the Spatial Scale Effects of the Vegetation Phenology in the Qinling Mountains.
Remote. Sens., 2022
Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses.
Comput. Biol. Medicine, 2022
D3AI-Spike: A deep learning platform for predicting binding affinity between SARS-CoV-2 spike receptor binding domain with multiple amino acid mutations and human angiotensin-converting enzyme 2.
Comput. Biol. Medicine, 2022
D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19.
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Briefings Bioinform., 2022