Drug Discovery | Pharmacology AlphaFold2 structures guide prospective ligand discovery. June 26, 2024
Computational Chemistry | Drug Discovery Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking. December 29, 2023
Bioinformatics | Computational Biology | Structural Biology Improved Peptide Docking with Privileged Knowledge Distillation using Deep Learning. December 18, 2023
Bioinformatics | Computational Biology | Pharmaceutical Sciences A practical guide to machine-learning scoring for structure-based virtual screening. October 16, 2023
Molecular Biology | Oncology | Pharmacology Discovery of novel PARP-1 inhibitors using tandem studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach. May 22, 2023
Computational Chemistry | Drug Discovery | Pharmaceutical Sciences Evaluating GPCR modeling and docking strategies in the era of deep learning-based protein structure prediction. December 22, 2022
Chemistry | Computer Science Efficient Exploration of Chemical Space with Docking and Deep Learning. September 30, 2021
Bioinformatics | Drug Discovery | Neurology Convolutional neural network scoring and minimization in the D3R 2017 community challenge. February 13, 2019