Computer Simulation of the Light Absorption band of the Jumping Spider Isorhodopsin

Author(s)

Noah ZoldakFollow

Abstract

In order to simulate the photoisomerization of the 9-cis Jumping Spider Isorhodopsin (JSiR-1) it is necessary to first simulate its light-absorption band. Here we report on the absorption band simulated using protein models constructed using the advanced Automatic Rhodopsin Modeling (a-ARM) program. A population of S₀ models was created and the corresponding S₀ to S₁ transitions were determined for each member of the resulting population. The calculation resulted in a Gaussian plot showing that the wavelength of the absorption maximum of 560 nm (a violet color) that is consistent, but red-shifted, with respect the experimentally observed value.

Department

Chemistry

Major

Biochemistry

First Advisor

Dr. Massimo Olivucci

First Advisor Department

Chemistry

Second Advisor

Dr. Sankardas Roy

Second Advisor Department

Computer Science

Publication Date

Fall 12-7-2022

Repository Citation

Zoldak, Noah, "Computer Simulation of the Light Absorption band of the Jumping Spider Isorhodopsin" (2022). Honors Projects. 830.
https://scholarworks.bgsu.edu/honorsprojects/830