Proton Transfer and SN 2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx.
Sign Up to like & getrecommendations! Published in 2020 at "ChemPlusChem"
DOI: 10.1002/cplu.202000660
Abstract: The so-called peroxidatic cysteines and selenocysteines in proteins reduce hydroperoxides through a dual attack to the peroxide bond in a two-step mechanism. First, a proton dislocation from the thiol/selenol to a close residue of the… read more here.
Keywords: reactions steps; steps fast; study; proton ... See more keywords
STEPS 4.0: Fast and memory-efficient molecular simulations of neurons at the nanoscale
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Neuroinformatics"
DOI: 10.3389/fninf.2022.883742
Abstract: Recent advances in computational neuroscience have demonstrated the usefulness and importance of stochastic, spatial reaction-diffusion simulations. However, ever increasing model complexity renders traditional serial solvers, as well as naive parallel implementations, inadequate. This paper introduces… read more here.
Keywords: steps fast; reaction diffusion; memory; fast memory ... See more keywords