A1 Journal article (refereed)
Observe while it happens : catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations (2020)
Groenhof, G., Modi, V., & Morozov, D. (2020). Observe while it happens : catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations. Current Opinion in Structural Biology, 61, 106-112. https://doi.org/10.1016/j.sbi.2019.12.013
JYU authors or editors
Publication details
All authors or editors: Groenhof, Gerrit; Modi, Vaibhav; Morozov, Dmitry
Journal or series: Current Opinion in Structural Biology
ISSN: 0959-440X
eISSN: 1879-033X
Publication year: 2020
Volume: 61
Pages range: 106-112
Publisher: Elsevier Ltd.
Publication country: United Kingdom
Publication language: English
DOI: https://doi.org/10.1016/j.sbi.2019.12.013
Publication open access: Openly available
Publication channel open access: Partially open access channel
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/68788
Abstract
Organisms use photo-receptors to react to light. The first step is usually the absorption of a photon by a prosthetic group embedded inside the photo-receptor, often a conjugated chromophore. The electronic changes in the chromophore induced by photo-absorption can trigger a cascade of structural or chemical transformations that culminate into a response to light. Understanding how these proteins have evolved to mediate their activation process has remained challenging because the required time and spacial resolutions are notoriously difficult to achieve experimentally. Therefore, mechanistic insights into photoreceptor activation have been predominantly obtained with computer simulations. Here we briefly outline the challenges associated with such computations and review the progress made in this field.
Keywords: proteins; molecular biology
Free keywords: photoactive proteins; molecular biology
Contributing organizations
Ministry reporting: Yes
Reporting Year: 2020
JUFO rating: 1