FEBRUARY 7, 2025 Journal Article Eliater: a Python package for estimating outcomes of perturbations in biomolecular networks ( Read More )
FEBRUARY 7, 2025 Journal Article Ligand Substituent Effects on the Electronic Properties of Lindqvist-Type Polyoxometalate Multi-Level-Switches in the Gas Phase, Solution and on Surfaces ( 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 Journal Article Artificial Intelligence Transforming Post-Translational Modification Research ( Read More )
JANUARY 7, 2025 Journal Article Tunable Localized Charge Transfer Excitons in Nanoplatelet-2D chalcogenide van der Waals Heterostructures ( Read More )
DECEMBER 27, 2024 Journal Article Improved Enzyme Functional Annotation Prediction Using Contrastive Learning with Structural Inference ( Read More )
DECEMBER 24, 2024 Journal Article Smaller is better: The case for lower-order iodoplumbate species dominating MAPbI3/dimethylformamide solutions ( Read More )
DECEMBER 24, 2024 Journal Article Crystallization and Assembly at Interfaces: Celebrating the Achievements of a Vibrant Research Community ( 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 20, 2024 Journal Article A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations ( Read More )
DECEMBER 19, 2024 Journal Article Probing the Electronic Structure of [B10H10]2- Dianion Encapsulated by an Octamethylcalix[4]pyrrole Molecule ( Read More )
DECEMBER 19, 2024 Journal Article Photodetachment photoelectron spectroscopy shows isomer-specific proton-coupled electron transfer reactions in phenolic nitrate complexes ( Read More )
DECEMBER 14, 2024 Journal Article Mass spectrometry-based proteogenomics: New therapeutic opportunities for precision medicine ( Read More )
DECEMBER 12, 2024 Journal Article Molecular Understanding of Nitrogen Oxide Fixation of Water-Lean Carbon Capture Solvents by Atomistic Modeling ( 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 A Closer Look at Tip-Enhanced Raman Chemical Reaction Nanoimages ( 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 Spin-orbit coupling in molecular complexes beyond the van der Waals regime: Key factors for further splitting of the 2P3/2 ground state ( Read More )