Tag: molecular dynamics

A new study combines LC-MS profiling, protein denaturation assays, and molecular dynamics simulations to reveal that castor plant formulations contain ...

A sweeping new review in the Journal of Materials Science shows how synchrotron light, neutron scattering, advanced microscopy, molecular simulation, ...

A new review maps how computational tools, from RNA folding algorithms to molecular dynamics simulations, are transforming the design of ...

Researchers used machine learning, docking, and molecular dynamics to transform Traditional Chinese Medicine compounds into optimized computational leads against E. ...

A new network pharmacology study maps how the anti-metastatic drug metarrestin rewires cancer cell protein networks and identifies the cell-cycle ...

Researchers replaced toxic t-butanol with a menthol-octanoic acid deep eutectic solvent to purify tea membrane-bound polyphenol oxidase 17-fold, using molecular ...

Optimized enzymatic hydrolysis of goat milk proteins yields peptides that computationally and in vitro inhibit enzymes linked to both diabetes ...

A novel cytochrome P450 enzyme recovered from an Australian hot spring metagenome has been crystallised with molecular oxygen bound to ...

A new study of the brown seaweed Halopteris scoparia from Moroccan coasts reveals that solvent choice determines whether its extracts ...

Computational structural analysis of Schistosoma mansoni integrins identifies the Smα1/Smβ1 heterodimer as a plausible RGD-recognizing receptor, offering a new experimentally ...