Other Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning. September 10, 2024
Biology | Structural Biology The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study report. April 1, 2022
Chemistry | Materials Science | Nanochemistry Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters. March 4, 2021
Bioinformatics | Medicinal Chemistry | Pharmacology Machine Learning Models for Accurate Prediction of Kinase Inhibitors with Different Binding Modes. August 30, 2019
Crystallography A convolutional neural network-based screening tool for X-ray serial crystallography. May 23, 2019