2024
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

2023
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening.
Comput. Biol. Medicine, September, 2023

2022
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.
Briefings Bioinform., 2022