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Exploring Allosteric Pathways of a V-Type Enzyme with Dynamical Perturbation Networks

Elucidation of the allosteric pathways in proteins is a computational challenge that strongly benefits from combination of atomistic molecular dynamics (MD) simulations and coarse-grained analysis of the complex dynamical network of chemical interactions based on graph theory. Here, we introduce and...

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Dades bibliogràfiques
Publicat a:J Phys Chem B
Autors principals: Gheeraert, Aria, Pacini, Lorenza, Batista, Victor S., Vuillon, Laurent, Lesieur, Claire, Rivalta, Ivan
Format: Artigo
Idioma:Inglês
Publicat: 2019
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6604606/
https://ncbi.nlm.nih.gov/pubmed/30943726
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b01294
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