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
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
Drug Discovery | Pharmacology DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. November 13, 2021
Biochemistry | Machine Learning | Pharmacology Modeling Structure-Activity Relationship of AMPK Activation. November 13, 2021
Biochemistry | Drug Discovery | Pharmacology Identification of Novel Antagonists Targeting Cannabinoid Receptor 2 Using a Multi-Step Virtual Screening Strategy. November 13, 2021
Oncology | Pharmacology Trustworthy Deep Neural Network for Inferring Anticancer Synergistic Combinations. November 9, 2021
Bioinformatics | Drug Discovery | Pharmacology Binding affinity prediction for protein-ligand complex using deep attention mechanism based on intermolecular interactions. November 9, 2021
Bioinformatics | Computational Biology | Microbiology | Pharmacology StaBle-ABPpred: a stacked ensemble predictor based on biLSTM and attention mechanism for accelerated discovery of antibacterial peptides. November 9, 2021
Bioinformatics | Oncology | Pharmacology Natural Product-Based Studies for the Management of Castration-Resistant Prostate Cancer: Computational to Clinical Studies. November 5, 2021
Bioinformatics | Pharmacology | Virology De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations. November 5, 2021
Artificial Intelligence | Drug Discovery | Pharmacology Application of Artificial Intelligence and Machine Learning in Drug Discovery. November 3, 2021
Computational Biology | Drug Discovery | Pharmacology Artificial Intelligence, Machine Learning, and Deep Learning in Real-Life Drug Design Cases. November 3, 2021