Computer Simulation in Polymer Physical Chemistry and Its Application to Biomolecules

Abstract

Applications of molecular simulation in the field of polymer physical chemistry are presented in terms of crystallization, interaction to small molecules, and hydration. Full atomistic models are suitable for investigating these phenomena since atomistic interaction plays important roles. From a different point of view, these studies in the field of polymer science lead to fundamental understandings of various biophysical problems, such as physical chemistry of amyloid fibrils, which may cause neurodegenerative diseases.