Bioinformatics | Chemical Synthesis | Computational Chemistry Developing BioNavi for Hybrid Retrosynthesis Planning. July 26, 2024
Computer Science | Organic Chemistry Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis. April 1, 2024
Biochemistry | Pharmacology | Structural Biology Deep Learning Dynamic Allostery of G-Protein-Coupled Receptors. November 30, 2023
Enzymology | Protein Design | Structural Biology AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design. June 30, 2023
Chemistry | Materials Science | Physics Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF-NaF-ZrF Molten Salt. January 2, 2023
Chemistry | Machine Learning | Materials Science Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning. October 3, 2022
Chemistry | Materials Science A Deep Learning Framework Discovers Compositional Order and Self-Assembly Pathways in Binary Colloidal Mixtures. August 29, 2022
Drug Delivery | Genetics Deep Learning Enables Discovery of a Short Nuclear Targeting Peptide for Efficient Delivery of Antisense Oligomers. November 29, 2021
Biophysics | Computational Chemistry | Machine Learning Markov State Models to Study the Functional Dynamics of Proteins in the Wake of Machine Learning. October 4, 2021
Chemistry | Materials Science Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design. September 1, 2021
Chemistry | Energy Storage | Materials Science Multiprincipal Component P2-Na(TiMnCoNiRu)O as a High-Rate Cathode for Sodium-Ion Batteries. September 1, 2021