Molecular Dynamics Simulations Based on Newly Developed Force Field Parameters for Cu2+ Spin Labels Provide Insights into Double-Histidine-Based Double Electron–Electron Resonance
| Autor: | Sunil Saxena, Shreya Ghosh, Xiaowei Bogetti, Junmei Wang, Austin Gamble Jarvi |
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| Rok vydání: | 2020 |
| Předmět: |
Materials science
010304 chemical physics Site-directed spin labeling Electron 010402 general chemistry 01 natural sciences Molecular physics Force field (chemistry) 0104 chemical sciences Surfaces Coatings and Films law.invention Molecular dynamics Protein structure Electron resonance law 0103 physical sciences Materials Chemistry Physical and Theoretical Chemistry Electron paramagnetic resonance Histidine |
| Zdroj: | The Journal of Physical Chemistry B. 124:2788-2797 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/acs.jpcb.0c00739 |
| Popis: | Electron paramagnetic resonance (EPR) in combination with the recently developed double Histidine (dHis) based Cu(II) spin labeling has provided valuable insights into protein structure and conform... |
| Databáze: | OpenAIRE |
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