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