Author:
Dominova Irina N.,Fedotov Daniil A.,Shirina Svetlana,Zikin Vladimir,Zhukov Valerii V.
Abstract
AbstractHere we present a complex study of possible visual opsin ofL. fulica. 8 candidate sequences were chosen for visual opsin protein and only one (Afu005002) was confirmed as a possible candidate after domain search, structural (structures were stimulated with AlphaFold2) and BLAST analysis. In order to evaluate spectroscopic properties of the Afu005002 protein, we have computed excitation energy and intensity of the main absorption band using QM/MM methodology at the ADC(2) level of theory. The theoretically predicted position of the main absorption maxima shows a good agreement with available experimental data.
Publisher
Cold Spring Harbor Laboratory