Bioinformatics | Computational Biology | Pharmacoproteomics A Study on the Robustness and Stability of Explainable Deep Learning in an Imbalanced Setting: The Exploration of the Conformational Space of G Protein-Coupled Receptors. June 27, 2024
Bioinformatics | Oncology | Pharmacology Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer. June 10, 2024
Bioinformatics | Computational Biology | Drug design | Infectious Diseases | Pharmacology Integrated Computational Approaches for Drug Design Targeting Cruzipain. April 13, 2024
Biochemistry | Molecular Biology Folding-upon-binding pathways of an intrinsically disordered protein from a deep Markov state model. January 31, 2024
Oncology | Pharmacology Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing. January 19, 2024
Pharmacology | Virology A structural-based virtual screening and validation reveals novel effective inhibitors for SARS-CoV-2 helicase and endoribonuclease. August 24, 2023
Biochemistry | Virology Folding-upon-binding pathways of an intrinsically disordered protein from a deep Markov state model. August 7, 2023
Nanofluidics | Nanotechnology Prediction of water transport properties on an anisotropic wetting surface deep learning. July 21, 2023
Medicinal Chemistry | Pharmaceutical Sciences Fragment Linker Prediction Using the Deep Encoder-Decoder Network for PROTACs Drug Design. May 8, 2023
Drug Discovery | Marine Biology | Pharmacology A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database. April 11, 2023
Bioinformatics | Genetics | Molecular Biology Integration of deep learning with Ramachandran plot molecular dynamics simulation for genetic variant classification. March 7, 2023
Chemistry | Fuel Cell Technology | Material Science Deep Learning to Reveal the Distribution and Diffusion of Water Molecules in Fuel Cell Catalyst Layers. January 18, 2023