Biomedical Research | Biotechnology | Drug Discovery Deep Learning for Protein-Ligand Docking: Are We There Yet? June 3, 2024
Bioinformatics | Pharmaceutical Sciences DiffBindFR: an SE(3) equivariant network for flexible protein-ligand docking. May 31, 2024
Bioinformatics | Computational Biology GSScore: a novel Graphormer-based shell-like scoring method for protein-ligand docking. May 6, 2024
Bioinformatics | Chemoinformatics | Computational Chemistry PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences. March 1, 2024
Bioinformatics | Computational Biology | Proteomics CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training. January 26, 2024
Drug Discovery | Protein structure prediction zPoseScore model for accurate and robust protein-ligand docking pose scoring in CASP15. August 22, 2023
Computational Chemistry | Pharmaceutical Sciences Examining multi-objective deep reinforcement learning frameworks for molecular design. August 6, 2023
Bioinformatics | Computational drug design Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility. March 14, 2023
Bioinformatics | Pharmacology Deffini: A family-specific deep neural network model for structure-based virtual screening. November 27, 2022
Bioinformatics | Drug Discovery | Pharmacology Protein-Ligand Docking in the Machine-Learning Era. July 27, 2022
Bioinformatics | Molecular Biology | Pharmacology Improving protein-ligand docking and screening accuracies by incorporating a scoring function correction term. March 15, 2022
Computational Chemistry | Drug Discovery | Pharmacology V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. November 13, 2021