Biomedical | Cheminformatics Novel Molecular Representations Using Neumann-Cayley Orthogonal Gated Recurrent Unit. April 19, 2023
Drug Discovery | Pharmacology | Virology Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning. June 14, 2021
Chemoinformatics | Computational Biology AweGNN: Auto-parametrized weighted element-specific graph neural networks for molecules. May 21, 2021
Biophysics | Immunology | Infectious Diseases Review of COVID-19 Antibody Therapies. October 16, 2020
Bioinformatics | Immunology | Infectious Diseases Review of COVID-19 Antibody Therapies. June 30, 2020
Bioinformatics | Chemoinformatics | Pharmaceutical Sciences MathDL: mathematical deep learning for D3R Grand Challenge 4. November 17, 2019
Computer-Aided Drug Design | Machine Learning Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges. February 12, 2019