Molecular Dynamics Simulations of Protein Unfolding and Limited Refolding: Characterization of Partially Unfolded States of Ubiquitin in 60% Methanol and in Water

1995 ◽  
Vol 247 (3) ◽  
pp. 501-520 ◽  
Author(s):  
Darwin O.V. Alonso ◽  
Valerie Daggett
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Protein Unfolding ◽  
Partially Unfolded ◽  
Dynamics Simulations ◽  
Partially Unfolded States

scholarly journals Protein unfolding by SDS: the microscopic mechanisms and the properties of the SDS-protein assembly

Nanoscale ◽  
2020 ◽  
Vol 12 (9) ◽  
pp. 5422-5434 ◽  
Author(s):  
David Winogradoff ◽  
Shalini John ◽  
Aleksei Aksimentiev
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Anionic Surfactant ◽  
Protein Unfolding ◽  
Protein Assembly ◽  
Full Length ◽  
Dynamics Simulations

Molecular dynamics simulations reveal how anionic surfactant SDS and heat unfold full-length proteins.

Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields

2018 ◽  
Vol 20 (13) ◽  
pp. 8676-8684 ◽  
Author(s):  
Yanhua Ouyang ◽  
Likun Zhao ◽  
Zhuqing Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Structural Ensembles ◽  
Dynamics Simulations

The conformations of p53 TAD2 in complexes and sampled in simulations with five force fields.

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