STATIC PROPERTIES OF THE 6Li NUCLEUS IN THE THREE-CLUSTER MODEL

This scientific work is devoted to a deep study of the structure of the weakly bound light 6Li nucleus in the framework of the three-cluster α+p+n-model. The realistic Reid soft core potential (RSC-potential) have been utilized as the nucleon-nucleon interaction. The potential with even-odd splitting in waves is used for describing the interaction of the alpha-particle and nucleons. The spectrum of low-lying energy levels of the 6Li nucleus has been calculated, and realistic wave functions of the relative motion of the clusters in this nucleus have been defined. The matrix elements and operators of the main static characteristics of the 6Li nucleus are presented. In particular, the root-mean-square charge and material radii, magnetic dipole and electric quadrupole moments of the 6Li nucleus have been calculated.

Molecular Dynamic Simulation of 3-(5-Chloro-2, 4-dihydroxyphenyl)-pyrazole-4-carboxamide and HSP90 Molecular Chaperone Interaction

The calculation of free energy differences of a system is of great importance as the rate and extent of many if not all chemical and biophysical processes are governed by the nature of underlying free energy landscape. In this study the preferential binding of 3-(5-chloro-2, 4-dihydroxyphenyl)–pyrazole-4-carboxamide (4BC) and Heat shock protein 90(Hsp90) molecular chaperone has been evaluated using molecular dynamics simulation. A soft core potential was used during the mutations to facilitate the creation and deletion of atoms. Trajectory analysis showed a stable equilibrium after energy minimization. Potential energy plot showed equilibrium around -69520 and -183859 kJ/mol for Hsp90 and Hsp90-4BC. Kinetic energy also was calculated for Hsp90 and Hsp90-4BC as 44500 and 65928.29 kJ/mol, respectively.