COMPUTATIONAL MODELING OF INTERACTION BETWEEN CHARGED GROUPS IN AMINO ACIDS AND PEPTIDES
The interaction between ammonia and carboxylate groups in amino acids such as H <sub>3</sub>N <sup>+</sup>(CH <sub>2</sub>) <sub>n</sub>COO <sup>-</sup> (n = 1 - 4), H <sub>3</sub>N <sup>+</sup> CH(X) COO <sup>-</sup> (X = H-, CH <sub>3</sub>-, (CH <sub>3</sub>) <sub>2</sub>CH-, CH <sub>3</sub>(HO)CH-, HOCH <sub>2</sub>-, HSCH <sub>2</sub>-, HOOCCH <sub>2</sub>-, <sup>-</sup>OOCCH <sub>2</sub>-, HOOCCH <sub>2</sub>CH <sub>2</sub>-, <sup>-</sup>OOCCH <sub>2</sub>CH <sub>2</sub>-) and peptides (containing Lys-Glu) was investigated by computational modeling method.