Drug Discovery | Molecular Biology | Oncology Identification and Validation of New DNA-PKcs Inhibitors through High-Throughput Virtual Screening and Experimental Verification. July 27, 2024
Drug Development | Pharmacology | Toxicology A deep learning based multi-model approach for predicting drug-like chemical compound’s toxicity. May 3, 2024
Chemoinformatics | Drug Discovery | Pharmaceutical Sciences Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors. March 22, 2024
Bioinformatics | Molecular Biology | Pharmacology DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction. June 28, 2023
Bioinformatics | Drug Development | Pharmacology Deep Learning-Based Bioactive Therapeutic Peptide Generation and Screening. February 1, 2023
Pharmacology | Virology An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity. July 29, 2022
Chemistry | Drug Development | Pharmaceutical Sciences Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components. June 20, 2022
Chemistry | Molecular Dynamics Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method. November 9, 2021
Bioinformatics | Computational Biology | Molecular Biology Computational Protein Design with Deep Learning Neural Networks. November 14, 2018