Solvent Effect on Aquaporin4

Abstract

Aquaporins are integral membrane proteins from a larger family of major intrinsic proteins that form<br />pores in the membrane of biological cells. Aquaporins form tetramers in the cell membrane with each<br />monomer acting as a water channel.In this research, the AQP4 tetramer was modeled from its PDB<br />structure file, then, we have performed the intraction of aquaporin4 in different temperatures (298k,<br />300k, 302k, 304k, 306k, 308k and 310k) with OPLS and Amber force field in molecular mechanic<br />(MM) method. The Total energy (Et), Potential energy (Ep) and Kinetic energy (Ek) in (Kcal/mol),<br />were examined, with Amber and OPLS in force field in molecular mechanic (MM) method. In this<br />investigation HyperChem professional release 7.01 was used for the quantum chemical calculations.<br />We have performed geometry optimization and Monte Carlo simulation by this software.