Tag: molecular dynamics

New research shows that lithium ions competitively block the sodium-dependent activation of eukaryotic fluoride exporter channels, constricting their pores and ...

Researchers at the University of Melbourne have coupled molecular dynamics-derived soot rates with computational fluid dynamics to predict soot growth ...

Researchers have resolved 76 coexisting conformers of the RNase P ribozyme at near-atomic resolution, revealing that catalysis arises from dynamic ...

Chemists have synthesized a bis-benzimidazole diamide that protects mild steel in sulfuric acid with up to 99 percent inhibition efficiency, ...

Molecular dynamics simulations reveal how grain size, palladium content, and temperature govern the hardness and deformation mechanisms of CoCuFeNiPdx high-entropy ...

Researchers have developed DyME, an open-source platform that automates high-throughput mutagenesis, molecular dynamics simulation, and comparative analysis of thousands of ...

Japanese researchers used an amino acid mapping descriptor derived from the natural antibiotic waldiomycin to screen nearly 12 million compounds ...

Using nanoscale vibrational spectroscopy inside carbon nanotubes, researchers have directly observed water losing its hydrogen-bond network under extreme confinement.

Molecular dynamics simulations show that thyme constituents, especially thymol, bind and structurally destabilize influenza H1N1 hemagglutinin more effectively than curcumin.

Researchers used flavoromics, bioinformatics, molecular simulation, and cell assays to identify a sea cucumber peptide, FDRGF, that delivers strong umami ...