Conformation Analysis of Enkephalin Using Hamiltonian Algorithm– Effect of Mixing Coefficient in HA –

Abstract

In order to execute molecular dynamics (MD) simulation for the holding process and native structure of proteins efficiently, Hamiltonian algorithm (HA) was equipped to an MD program: PEACH. The difference between the conventional method and HA is evaluated using Leu-Enkephalin and Met-Enkephalin. HA was efficient for sampling a wide area of geometrical space because many low energy conformations were observed along trajectories of HA.