Gastroenterology | Pharmacoinformatics | Traditional Chinese Medicine Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis. July 21, 2023
Bioinformatics | Computational Chemistry | Pharmaceutical Sciences DSDP: A Blind Docking Strategy Accelerated by GPUs. June 30, 2023
Bioinformatics | Drug design | Molecular Biology | Pharmacology A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function. December 11, 2022
Bioinformatics | Pharmacology | Virology De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations. November 5, 2021
Computer-Aided Drug Design | Pharmaceutical Sciences DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock Vina. December 18, 2020
Bioinformatics | Drug design | Medicine MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. August 11, 2020
Other Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening. August 20, 2019