Relevance of the speed and direction of pulling in simple modular proteins
| Autor: | Plata, Carlos A., Scholl, Zackary N., Marszalek, Piotr E., Prados, A. |
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| Rok vydání: | 2017 |
| Předmět: | |
| Zdroj: | J. Chem. Theory Comput. 14, 2910-2918 (2018) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1021/acs.jctc.8b00347 |
| Popis: | A theoretical analysis of the unfolding pathway of simple modular proteins in length- controlled pulling experiments is put forward. Within this framework, we predict the first module to unfold in a chain of identical units, emphasizing the ranges of pulling speeds in which we expect our theory to hold. These theoretical predictions are checked by means of steered molecular dynamics of a simple construct, specifically a chain composed of two coiled-coils motives, where anisotropic features are revealed. These simulations also allow us to give an estimate for the range of pulling velocities in which our theoretical approach is valid. Comment: Accepted for publication in J. Chem. Theory Comput.; only one PDF file with the main text and the supporting information (generated from a docx file) |
| Databáze: | arXiv |
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