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Drug Discovery | Protein structure prediction zPoseScore model for accurate and robust protein-ligand docking pose scoring in CASP15. August 22, 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 | 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
Bioinformatics | Chemoinformatics | Computational Biology | Pharmacology OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells. November 15, 2021
Bioinformatics | Chemistry | Pharmaceutical Sciences OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein-Ligand Binding Affinity Prediction. October 8, 2019