Deep diving into the comparative study of Choline dynamics using molecular dynamics simulation and neutron scattering technique

Abstract

We present here the comparative study between the dynamics Choline and Tetra-methyl ammonium bromide. This is well known that deficiency in Choline would cause many severe diseases. No wonder why Choline is crucial component for our nutrients and dietary requirements. We present here a comprehensive study using all-atom molecular dynamics simulation combined with neutron scattering technique for solute behavior in aqueous solution. The solvent behavior is discussed in the follow up work.