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 26, 2025 Journal Article Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node ( Read More )
FEBRUARY 12, 2025 Journal Article Annotation of DOM metabolomes with an ultrahigh resolution mass spectrometry molecular formula library ( Read More )
FEBRUARY 7, 2025 Journal Article Eliater: a Python package for estimating outcomes of perturbations in biomolecular networks ( Read More )
FEBRUARY 4, 2025 Journal Article Structural, functional, and regulatory evaluation of a cysteine post-translationally modified Gcn5-related N-acetyltransferase ( Read More )
JANUARY 8, 2025 Journal Article Artificial Intelligence Transforming Post-Translational Modification Research ( Read More )
DECEMBER 28, 2024 Journal Article The Natural Products Magnetic Resonance Database (NP-MRD) for 2025 ( 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 )
DECEMBER 10, 2024 Journal Article PeakQC: A Software Tool for Omics-Agnostic Automated Quality Control of Mass Spectrometry Data ( 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 Ectomycorrhizal fungi alter soil food webs and the functional potential of bacteria communities ( Read More )
NOVEMBER 18, 2024 Journal Article Environment-specific virocell metabolic reprogramming ( 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 )