Cancer Research | Drug design | Pharmacology Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A receptor antagonists. December 22, 2023
Bioinformatics | Pharmacology Whole proteome mapping of compound-protein interactions. December 21, 2023
Bioinformatics | Pharmacology BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. December 19, 2023
Pharmacology | Virology Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites. December 19, 2023
Clinical Pharmacology | Pharmacology Drug-drug interaction prediction: databases, web servers and computational models. December 19, 2023
Bioinformatics | Oncology | Pharmacology KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling. December 19, 2023
Bioinformatics | Drug design | Pharmacology Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors. December 19, 2023
Biomedical Informatics | Pharmacology MOPDDI: Predicting Drug-Drug Interaction Events Based on Multimodal Mutual Orthogonal Projection and Intermodal Consistency Loss. December 18, 2023
Bioinformatics | Oncology | Pharmacology A multi-task learning model for predicting drugs combination synergy by analyzing drug-drug interactions and integrated multi-view graph data. December 17, 2023
Bioinformatics | Drug Discovery | Pharmacology MOASL: Predicting drug mechanism of actions through similarity learning with transcriptomic signature. December 17, 2023
Bioinformatics | Computer Science | Pharmacology A deep learning method for drug-target affinity prediction based on sequence interaction information mining. December 15, 2023
Bioinformatics | Pharmacology GAABind: a geometry-aware attention-based network for accurate protein-ligand binding pose and binding affinity prediction. December 15, 2023