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. Author manuscript; available in PMC: 2022 Jun 10.
Published in final edited form as: Photochem Photobiol. 2021 Feb 13;97(2):243–269. doi: 10.1111/php.13372

Fig. 17.

Fig. 17.

Illustration of the PE model applied on the membrane-embedded C1C2 channelrhodopsin. The active part, a protonated retinylidene Schiff base, is modeled using DFT/WFT, while the effect from the chromophores environment is modeled classically using atom-centered multipoles and polarizabilities.