Drug design | Structural Biology DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks. August 10, 2021
Drug design | Pharmaceutical research Fine-tuning of a generative neural network for designing multi-target compounds. May 28, 2021
Bioinformatics | Drug design | Genomics SCLpred-MEM: subcellular localization prediction of membrane proteins by Deep N-to-1 Convolutional Neural Networks. May 13, 2021
Artificial Intelligence | Bioinformatics | Drug design MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction. May 5, 2021
Bioinformatics | Drug design | Pharmacology Accelerating Drug Design against Novel Proteins Using Deep Learning. January 25, 2021
Chemical Biology | Drug design | Pharmacology Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists. January 6, 2021
Chemistry | Drug design OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design. January 4, 2021
Drug design | Medicinal Chemistry AIScaffold: A Web-Based Tool for Scaffold Diversification Using Deep Learning. December 28, 2020
Bioinformatics | Computational Chemistry | Drug design | Pharmacology Target-Specific Drug Design Method Combining Deep Learning and Water Pharmacophore. November 30, 2020
Computational Chemistry | Drug design DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. August 24, 2020
Bioinformatics | Drug design | Medicine MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. August 11, 2020
Biochemistry | Drug design Predicting Local Protein 3D Structures Using Clustering Deep Recurrent Neural Network. August 5, 2020