Bioinformatics | Computational Chemistry Enhancing Ligand Pose Sampling for Molecular Docking. December 11, 2023
Bioinformatics | Computational Biology | Pharmaceutical Sciences A practical guide to machine-learning scoring for structure-based virtual screening. October 16, 2023
Bioinformatics | Drug Discovery | Pharmacology ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions. September 22, 2023
Artificial Intelligence | Computational Biology | Drug Discovery | Pharmacology Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A Review. October 3, 2022
Other Deep Local Analysis evaluates protein docking conformations with locally oriented cubes. August 13, 2022
Bioinformatics | Chemoinformatics | Computational Biology | Pharmacology OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells. November 15, 2021
Bioinformatics | Chemistry | Pharmacology Learning protein-ligand binding affinity with atomic environment vectors. August 15, 2021
Bioinformatics | Pharmaceutical Sciences Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods. September 11, 2019