Backbone Relaxation Coupled to the Ionization of Internal Groups in Proteins: A Self-Guided Langevin Dynamics Study

Pathways of structural relaxation triggered by ionization of internal groups in staphylococcal nuclease (SNase) were studied through multiple self-guided Langevin dynamics (SGLD) simulations. Circular dichroism, steady-state Trp fluorescence, and nuclear magnetic resonance spectroscopy have shown pr...

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Bibliographic Details
Main Authors: Damjanović, Ana, Wu, Xiongwu, García-Moreno E., Bertrand, Brooks, Bernard R.
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2008
Subjects:
Biophysical Theory and Modeling
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2567956/
https://ncbi.nlm.nih.gov/pubmed/18641078
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.130906
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