Observe while it happens: catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations.
Curr Opin Struct Biol
; 61: 106-112, 2020 04.
Article
em En
| MEDLINE
| ID: mdl-31927414
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.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Conformação Proteica
/
Proteínas
/
Simulação de Dinâmica Molecular
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article