AI for Drug Design DeepSA: Deep Learning-Driven Predictor of Compound Synthesis Accessibility A deep learning model that predicts the synthesis accessibility of compounds with high accuracy, helping researchers select cost-effective molecules for synthesis. PhenoModel: A Multimodal Phenotypic Drug Design Foundation Model A molecular representation foundation model integrating cell phenotype data for virtual screening and active compound discovery. DeepPSA: Geometric Deep Learning for PROTAC Synthetic Accessibility A geometric deep learning model for predicting PROTAC synthetic accessibility. Discovery of Novel NMDA Receptor Inhibitors via Deep Learning Using deep learning methods to discover novel GluN1/GluN3A NMDA receptor inhibitors. Antiviral Drug-Protease Interaction Prediction Computer-aided prediction of interactions between viral proteases and antiviral drugs. DeepmRNALoc: Deep Learning-Based mRNA Subcellular Localization Predictor A novel predictor of eukaryotic mRNA subcellular localization based on deep learning. Molecular Representation Molecular Representation Methods and Scaffold Hopping: A Review A comprehensive review of recent advances in molecular representation methods and their applications in scaffold hopping. GeminiMol: Conformational Space Profiling for Molecular Representation A molecular representation method that enhances ligand-based drug discovery by profiling conformational space. Bioinformatics SARS-CoV-2 Molecular Evolution in the United States Preliminary analysis of the evolutionary characteristics of SARS-CoV-2 emerging in the United States. HCoV-HKU1 Receptor Binding Site Clarification via Molecular Docking Clarifying the real receptor binding site between HCoV-HKU1 and 9-O-Ac-Sia using molecular docking. Bamucuo Lake Metagenomics: Microbial Community in Tibet Metagenomics revealing molecular profiles of microbial community in Bamucuo Lake, Tibet.
