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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...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Matsunaga, Yasuhiro, Fujisaki, Hiroshi, Terada, Tohru, Furuta, Tadaomi, Moritsugu, Kei, Kidera, Akinori
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Public Library of Science 2012
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC3369945/
https://ncbi.nlm.nih.gov/pubmed/22685395
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1002555
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