Drug Discovery | Marine Biology | Pharmacology A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database. April 11, 2023
Bioinformatics | Drug Discovery | Proteomics RefinePocket: An Attention-Enhanced and Mask-Guided Deep Learning Approach for Protein Binding Site Prediction. April 11, 2023
Bioinformatics | Drug Discovery | Pharmacology Improving the generalizability of protein-ligand binding predictions with AI-Bind. April 8, 2023
Artificial Intelligence | Drug Discovery | Pharmaceutical Sciences MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. April 8, 2023
Drug Discovery | Machine Learning Meta Learning With Graph Attention Networks for Low-Data Drug Discovery. April 7, 2023
Artificial Intelligence | Bioinformatics | Chemoinformatics | Drug Discovery Exploring proteasome inhibition using atomic weighted vector indices and machine learning approaches. April 5, 2023
Bioinformatics | Computational Biology | Drug Discovery EnDL-HemoLyt: Ensemble Deep Learning-based Tool for Identifying Therapeutic Peptides with Low Hemolytic Activity. April 5, 2023
Bioinformatics | Computational Biology | Drug Discovery 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs. April 3, 2023
Drug Discovery | Pharmacology Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors. March 30, 2023
Bioinformatics | Drug Discovery | Pharmaceuticals Deep generative model for drug design from protein target sequence. March 28, 2023
Bioinformatics | Chemogenomics | Drug Discovery Deep Learning-Based Modeling of Drug-Target Interaction Prediction Incorporating Binding Site Information of Proteins. March 26, 2023
Bioinformatics | Drug Discovery | Machine Learning | Metabolomics Genome-scale enzymatic reaction prediction by variational graph autoencoders. March 22, 2023