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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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| Publicado no: | J Phys Chem B |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | 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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