A light switch: The mechanism of transmission of the photoinduced torsional strain along a cyclic peptide, incorporating a biomimetic photochemical switch, is resolved by quantum mechanics/molecular mechanics and molecular dynamics simulations. The excited-state cis -trans motion of the switch does not affect the conformation of the peptide which only begins to change after decay to the ground state at a conical intersection (CI: see scheme). (Figure Presented) © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.
Andruniów, T., Fantacci, S., De Angelis, F., Ferré, N., Olivucci, M. (2005). Mechanism of the Initial Conformational Transition of a Photomodulable Peptide. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 44(37), 6077-6081 [10.1002/anie.200501145].
Mechanism of the Initial Conformational Transition of a Photomodulable Peptide
Olivucci, Massimo
2005-01-01
Abstract
A light switch: The mechanism of transmission of the photoinduced torsional strain along a cyclic peptide, incorporating a biomimetic photochemical switch, is resolved by quantum mechanics/molecular mechanics and molecular dynamics simulations. The excited-state cis -trans motion of the switch does not affect the conformation of the peptide which only begins to change after decay to the ground state at a conical intersection (CI: see scheme). (Figure Presented) © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.
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https://hdl.handle.net/11365/34151
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