Minimum Free Energy Path of Ligand-Induced Transition in Adenylate Kinase

Large-scale conformational changes in proteins involve barrier-crossing transitions on the complex free energy surfaces of high-dimensional space. Such rare events cannot be efficiently captured by conventional molecular dynamics simulations. Here we show that, by combining the on-the-fly string met...

Descripción completa

Detalles Bibliográficos
Autores principales: Matsunaga, Yasuhiro, Fujisaki, Hiroshi, Terada, Tohru, Furuta, Tadaomi, Moritsugu, Kei, Kidera, Akinori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2012
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3369945/
https://www.ncbi.nlm.nih.gov/pubmed/22685395
http://dx.doi.org/10.1371/journal.pcbi.1002555

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3369945/
https://www.ncbi.nlm.nih.gov/pubmed/22685395
http://dx.doi.org/10.1371/journal.pcbi.1002555

Ejemplares similares