Modeling predicts enhanced light absorption and receptor interactions in photoswitchable psychedelics, suggesting improved membrane permeation.
Molecular dynamics, umbrella sampling, and QM/MM were used for modelling binding, permeation, and photophysics of photoswitchable psychedelics, identifying features that tune absorption spectra and enhance receptor and membrane interactions.
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Palmisano et al. (2025) studied this question.
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