A Study on the Effective Dielectric Constant in Water Cavity Surrounded by Protein

概要

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Dielectric property in water cavity surrounded by protein is investigated with Tanford and Kirkwood formula. In the calculation, radius of the cavity is fixed at 5 Å and 32 Å, and the dielectric constants of water and protein are taken to be 81 and 4, respectively. When the two charges embedded deeply in the water cavity of radius 5Å(32Å) are separated by about 3Å, which is a distance of hydrogen bonding, the effective dielectric constant between the two charges is about 7(30) due to the effect of surrounding protein with low dielectric constant. If the distance becomes longer, the value of this constant reduces down to 4. When the distance between the two charges becomes shorter, the value of the effective dielectric constant increases to 81 due to the decreasing effect of the surrounding protein. Further, effective dielectric constant in the globular protein surrounded by water is investigated with the same method for references.
琉球大学教育学部の論文