Protein mechanical unfolding: A model with binary variables

A. Imparato, A. Pelizzola, M. Zamparo

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

Abstract

A simple model, recently introduced as a generalization of the Wako-Saitô model of protein folding, is used to investigate the properties of widely studied molecules under external forces. The equilibrium properties of the model proteins, together with their energy landscape, are studied on the basis of the exact solution of the model. Afterwards, the kinetic response of the molecules to a force is considered, discussing both force clamp and dynamic loading protocols and showing that theoretical expectations are verified. The kinetic parameters characterizing the protein unfolding are evaluated by using computer simulations and agree nicely with experimental results, when these are available. Finally, the extended Jarzynski equality is exploited to investigate the possibility of reconstructing the free energy landscape of proteins with pulling experiments.

Lingua originaleInglese
Numero di articolo145105
RivistaJournal of Chemical Physics
Volume127
Numero di pubblicazione14
DOI
Stato di pubblicazionePubblicato - 2007
Pubblicato esternamente

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