Bioinformatics | Computer Science | Molecular Biology RevGraphVAMP: A protein molecular simulation analysis model combining graph convolutional neural networks and physical constraints. July 7, 2024
Bioinformatics | Computer Science | Drug design A new paradigm for applying deep learning to protein-ligand interaction prediction. April 6, 2024
Biomedical Research | Cell Biology A Weakly Supervised Learning Method for Cell Detection and Tracking Using Incomplete Initial Annotations. November 25, 2023
Drug Discovery | Protein structure prediction zPoseScore model for accurate and robust protein-ligand docking pose scoring in CASP15. August 22, 2023
Bioinformatics | Drug Development | Pharmacology Deep Learning-Based Bioactive Therapeutic Peptide Generation and Screening. February 1, 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
Pharmacology | Virology An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity. July 29, 2022
Bioinformatics | Pharmacology DeepBindBC: a practical deep learning method for identifying native-like protein-ligand complexes in virtual screening. July 25, 2022
Bioinformatics | Drug Discovery Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery. June 20, 2022
Chemistry | Drug Development | Pharmaceutical Sciences Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components. June 20, 2022
Bioinformatics | Molecular Biology | Pharmacology Improving protein-ligand docking and screening accuracies by incorporating a scoring function correction term. March 15, 2022
Artificial Intelligence | Pharmaceutical Sciences Boosting the predictive performance with aqueous solubility dataset curation. March 4, 2022