Molecular dynamics of phenylalanine-water system under strong gravity condition

Abstract

We simulated gravity and investigated its impact on the phenylalanine-water system under non-homogenous molecular dynamics. Structural examination of the system configuration suggested nucleation of phenylalanine under strong gravity. Analysis of the partial density revealed the most probable site of nucleation at around z = 0.7 nm. An increase in gravity field resulted in an increase in the partial density close to the said site. This indicates that the site was becoming more compact which was in close agreement with the results of the radius of gyration. The decrease in average RMSD hints at a stability change in phenylalanine configuration.