MARCH 5, 2025 Journal Article CaXML: Chemistry-informed Machine Learning Explains Mutual Changes between Protein Conformations and Calcium Ions in Calcium-binding Proteins Using Structural and Topological Features ( Read More )
FEBRUARY 7, 2025 Journal Article Eliater: a Python package for estimating outcomes of perturbations in biomolecular networks ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
JANUARY 8, 2025 Journal Article Artificial Intelligence Transforming Post-Translational Modification Research ( Read More )
DECEMBER 27, 2024 Journal Article Improved Enzyme Functional Annotation Prediction Using Contrastive Learning with Structural Inference ( Read More )
DECEMBER 21, 2024 Journal Article Protein-Protein Interaction Networks Derived from Classical and Machine Learning-Based Natural Language Processing Tools ( Read More )
DECEMBER 14, 2024 Journal Article Mass spectrometry-based proteogenomics: New therapeutic opportunities for precision medicine ( Read More )
NOVEMBER 28, 2024 Journal Article Subject-Specific Multi-Scale Modeling of the Fate of Inhaled Aerosols ( Read More )
NOVEMBER 22, 2024 Journal Article Molecular-Level Dysregulation of Insulin Pathways and Inflammatory Processes in Peripheral Blood Mononuclear Cells by Circadian Misalignment ( Read More )
NOVEMBER 18, 2024 Journal Article Assessment of DFT Methods for the Prediction of Detachment Energies and Electronic Structures of Complex and Multiply Charged Anions ( Read More )
NOVEMBER 18, 2024 Journal Article Reactive Direct Air Capture of CO2 to C-C Coupled Products using Multifunctional Materials ( Read More )
OCTOBER 17, 2024 Journal Article Advancing the Prediction of MS/MS Spectra using Machine Learning ( Read More )
OCTOBER 15, 2024 Report Bayesian Framework for Predicting and Controlling Metabolic Phenotypes in Microbial System ( Read More )
OCTOBER 12, 2024 Report Multi-scale Simulation, Calibration, and Optimization of Calcium Carbonate Precipitation in Microbial Communities ( Read More )
OCTOBER 1, 2024 Journal Article Data analytics for catalysis predictions: are we ready yet? ( Read More )
SEPTEMBER 20, 2024 Journal Article Deciphering the Cofilin Oligomers via Intermolecular Disulfide Bond Formation: A Coarse-grained Molecular Dynamics Approach to Understanding Cofilin’s Regulation on Actin Filaments ( Read More )