Drug design | Protein Engineering Highly Accurate and Efficient Deep Learning Paradigm for Full-Atom Protein Loop Modeling with KarmaLoop. July 26, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. February 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
Bioinformatics | Drug Discovery Efficient and accurate large library ligand docking with KarmaDock. January 4, 2024
Other Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. January 3, 2024
Chemistry | Drug design | Pharmacology A flexible data-free framework for structure-based drug design with reinforcement learning. November 16, 2023
Bioinformatics | Drug Discovery | Pharmacology ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions. September 22, 2023
Bioinformatics | Computational Biology | Drug Discovery ReMODE: a deep learning-based web server for target-specific drug design. December 12, 2022
Bioinformatics | Computer Science Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning Network. August 13, 2022