IgA nephropathy (IgAN) is characterized by the deposition of IgA1-containing immune complexes in the glomerular mesangium. The pathogenesis follows a 4-hit cascade: ...

This is a repository where you can find a Jupyter notebook scripts for running Molecular Dynamics (MD) simulations using OpenMM engine and AMBER and CHARMM force fields files on Google Colab. This ...

Proteins change their conformations as part of their biological functions, for example, when binding another molecule (ligand). Two pathways are conceivable: Either the ligand binds preferentially to ...

Department of Chemistry, Rice University, 6100 Main Street, Houston, Texas 77005, United States Department of Chemistry, University of Pittsburgh, 219 Parkman Avenue, Pittsburgh, Pennsylvania 15260, ...

Inorganic Chemistry and Catalysis Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune 411008 India ...

The authors use a combination of structural and MD simulation approaches to characterize phospholipid interactions with the pentameric ligand-gated ion channel, GLIC. The general agreement between ...

The development of multiplexing technologies for proteomics has enabled the quantification of proteins on a global scale across samples with high confidence. In the covalent ligand discovery pipeline, ...

It was found that from chloride to bromide and iodide, the energy absorbed by ligand-to-metal charge transfer (LMCT) decreased sequentially with the decrease of electronegativity of the ligand. As a ...

The Price to Earnings (P/E) ratio, a key valuation measure, is calculated by dividing the stock's most recent closing price by the sum of the diluted earnings per share from continuing operations ...