MARCH 26, 2025 Journal Article FREDA: A web application for the processing, analysis, and visualization of Fourier-transform mass spectrometry data ( Read More )
MARCH 14, 2025 Journal Article Computational Tools and Data Integration to Accelerate Vaccine Development: Challenges, Opportunities, and Future Directions ( Read More )
MARCH 7, 2025 Journal Article A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism ( Read More )
MARCH 7, 2025 Journal Article Investigation of Inter-subject Variation in Ultrafine Particle Deposition Across Human Nasal Airways: A Study Involving Children, Adults, and the Elderly ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
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 15, 2025 Journal Article The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces ( Read More )
JANUARY 15, 2025 Journal Article WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation ( Read More )
JANUARY 8, 2025 Conference Paper CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback ( Read More )
JANUARY 8, 2025 Journal Article Artificial Intelligence Transforming Post-Translational Modification Research ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
DECEMBER 27, 2024 Journal Article Improved Enzyme Functional Annotation Prediction Using Contrastive Learning with Structural Inference ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( 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 Challenges and Opportunities in Deep Reinforcement Learning with Graph Neural Networks: A Comprehensive review of Algorithms and Applications ( Read More )