The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores
Abstract
Ultrafast processes in light-absorbing proteins have been implicated in the primary step in the light-to-energy conversion and the initialization of photoresponsive biological functions. Theory and computations have played an instrumental role in understanding the molecular mechanism of such processes, as they provide a molecular-level insight of structural and electronic changes at ultrafast time scales that often are very difficult or impossible to obtain from experiments alone. Among theoretical strategies, the application of hybrid quantum mechanics and molecular mechanics (QM/MM) models is an important approach that has reached an evident degree of maturity, resulting in several important contributions to the field. This review presents an overview of state-of-the-art computational studies on subnanosecond events in rhodopsins, photoactive yellow proteins, phytochromes, and some other photoresponsive proteins where photoinduced double-bond isomerization occurs. The review also discusses current limitations that need to be solved in future developments.
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Cites
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OpenMolcas: From Source Code to Insight
Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., et al. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00532 · Cited by 1,114
Self-citationQuantum computing algorithms: getting closer to critical problems in computational biology
Marchetti, L., Nifosì, R., Martelli, P. L., Da Pozzo, E., Cappello, V., Banterle, F., Trincavelli, M. L., Martini, C., & D’Elia, M. (2022) · Briefings in Bioinformatics · doi:10.1093/bib/bbac437 · Cited by 47
“Proton-coupled electron transfer [122] and photoisomerization [123] are often involved in enzymatic and light-induced reactions.”
Background
Metadata
- Authors
- Gozem, S., Luk, H. L., Schapiro, I., & Olivucci, M.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-10-30
- Volume
- 117
- Issue
- 22
- Pages
- 13502-13565
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2766726220
- Cited by
- 306
- References
- 12
- FWCI
- 2.97
- Type
- journal article
- Language
- en
- Open access
- closed
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- Gozem, S., Luk, H. L., Schapiro, I., & Olivucci, M. (2017). Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores. Chemical Reviews. https://doi.org/10.1021/acs.chemrev.7b00177
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