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Reconstruction of the src-SH3 Protein Domain Transition State Ensemble using Multiscale Molecular Dynamics Simulations

✍ Scribed by Feng Ding; Weihua Guo; Nikolay V. Dokholyan; Eugene I. Shakhnovich; Joan-Emma Shea


Book ID
116662206
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
968 KB
Volume
350
Category
Article
ISSN
0022-2836

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The redundancy of NMR restraints can be
✍ Nathalie Duclert-Savatier; Leandro MartΓ­nez; Michael Nilges; ThΓ©rΓ¨se E Malliavin πŸ“‚ Article πŸ“… 2011 πŸ› BioMed Central 🌐 English βš– 481 KB

## 1 Abstract ## Background The simulation of protein unfolding usually requires recording long molecular dynamics trajectories. The present work aims to figure out whether NMR restraints data can be used to probe protein conformations in order to accelerate the unfolding simulation. The SH3 domai