Protein mechanical unfolding: A model with binary variables Export

@article{citeulike:1770135, abstract = {A simple model, recently introduced as a generalization of the Wako-Sait\ô 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. \©2007 American Institute of Physics}, author = {Imparato, A. and Pelizzola, A. and Zamparo, M.}, citeulike-article-id = {1770135}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000127000014145105000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aip.org/link/?JCP/127/145105}, citeulike-linkout-2 = {http://dx.doi.org/10.1063/1.2776271}, doi = {10.1063/1.2776271}, journal = {The Journal of Chemical Physics}, keywords = {mechanical-unfolding, theoretical}, number = {14}, posted-at = {2007-10-15 13:56:27}, priority = {0}, publisher = {AIP}, title = {Protein mechanical unfolding: A model with binary variables}, url = {http://dx.doi.org/10.1063/1.2776271}, volume = {127}, year = {2007} }

TY - JOUR ID - citeulike:1770135 L3 - citeulike-article-id:1770135 N2 - 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. ©2007 American Institute of Physics IS - 14 JF - The Journal of Chemical Physics TI - Protein mechanical unfolding: A model with binary variables PB - AIP VL - 127 KW - mechanical-unfolding KW - theoretical AU - Imparato, A AU - Pelizzola, A AU - Zamparo, M PY - 2007/// UR - http://dx.doi.org/10.1063/1.2776271 ER -