Drug Discovery | Material Science | Polymer Science Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms. April 22, 2024
Bioinformatics | Drug Discovery | Pharmacology Language models for the prediction of SARS-CoV-2 inhibitors. April 11, 2024
Chemistry | Computational Chemistry | Materials Science Deep learning workflow for the inverse design of molecules with specific optoelectronic properties. November 17, 2023
Bioinformatics | Structural Biology Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing. August 30, 2023
Microbiology | Pharmacology Gating interactions steer loop conformational changes in the active site of the L1 metallo-β-lactamase. February 24, 2023
Biochemistry | Molecular Biology The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases. October 8, 2021
Biochemistry | Biophysics | Structural Biology Inter-Subunit Dynamics Controls Tunnel Formation During the Oxygenation Process in Hemocyanin Hexamers. October 4, 2021
Biochemistry | Biotechnology Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana Glycosyltransferases. July 13, 2020
Biochemistry | Genetics Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning. May 6, 2019