Hydrogen-Bonding Interaction Regulates Photoisomerization of a Single-Bond-Rotation Locked Photoactive Yellow Protein Chromophore in Protein.
2020
We have employed the QM(CASPT2//CASSCF)/MM method to explore excited-state isomerization and decay mechanism of a single-bond-rotation locked Photoactive Yellow Protein (PYP) chromophore in wild-ty...
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