Chemistry | Pharmaceutical Sciences QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design. July 1, 2024
Drug Discovery | Pharmaceutical Adapt-cMolGPT: A Conditional Generative Pre-Trained Transformer with Adapter-Based Fine-Tuning for Target-Specific Molecular Generation. June 27, 2024
Drug Discovery | Pharmacology AlphaFold2 structures guide prospective ligand discovery. June 26, 2024
Computational Chemistry | Pharmaceutical Sciences Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for drug design and computational chemistry approaches. June 24, 2024
Bioinformatics | Genomics | Pharmaceutical Sciences SCLpred-ECL: Subcellular Localization Prediction by Deep N-to-1 Convolutional Neural Networks. May 25, 2024
Bioinformatics | Drug Discovery | Structural Biology Overview of AlphaFold2 and breakthroughs in overcoming its limitations. May 18, 2024
Chemistry | Pharmacology De novo generation of multi-target compounds using deep generative chemistry. May 6, 2024
Pharmacology | Virology HBCVTr: an end-to-end transformer with a deep neural network hybrid model for anti-HBV and HCV activity predictor from SMILES. April 22, 2024
Computational Biology | Drug Discovery Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. April 17, 2024
Bioinformatics | Drug Discovery | Molecular Biology Genome-scale annotation of protein binding sites via language model and geometric deep learning. April 17, 2024
Computational Biology | Drug Discovery | Pharmaceutical Industry A comprehensive review of the recent advances on predicting drug-target affinity based on deep learning. April 17, 2024
Bioinformatics | Computational Biology | Drug design | Infectious Diseases | Pharmacology Integrated Computational Approaches for Drug Design Targeting Cruzipain. April 13, 2024