Development of a Biomolecule Simulation System Using the Single Amino Acid Potential Force Field

点击翻译按钮获取中文摘要

To elucidate the process of structural folding of proteins, four subjects were focused in this study. First, the Single Amino Acid Potential force field was improved, and the accuracy was evaluated. Second, the roles of the single amino acid potentials in protein structures were quantitatively analyzed. Third, the strain energy of protein structures was analyzed based on the single amino acid potentials. Fourth, the developed molecular simulation program was released on the web.