AN INTERACTION POTENTIAL BETWEEN WATER AND ZWITTERIONS OF ALANINE AND VALINE BASED ON ab initio CALCULATIONS

I. INTRODUCTIONThe interaction potentials between water molecule (WM) and biological molecules are very useful for studying the aqueous solutions of biological molecules by means of theoretical methods. At present, there have been many potentials available for WM with neutral amino acids, but those with amino acid zwitterions are much less relatively. In fact, amino