64360 20230313141235.0 doi 10.1039/c6cp07508h sideral 101122 ART-2017-101122 eng Tapia-Rojo, Rafael (orcid)0000-0001-5072-0645 A physical picture for mechanical dissociation of biological complexes: From forces to free energies 2017 Access copy available to the general public Unrestricted Single-molecule force spectroscopy is a powerful technique based on the application of controlled forces to macromolecules. In order to relate the measured response of the molecule to its equilibrium and dynamic properties, a suitable physical picture of the involved process is necessary. In this work, we introduce a plausible model for mechanical unbinding of some molecular complexes, based on a novel free energy profile. We combine two standard theoretical frameworks for analyzing force spectroscopy experiments on two protein:protein complexes, obtaining key magnitudes of the underlying free energy profile, which are only understood within the mentioned model. Additionally, we carry out detailed stochastic dynamics simulations to prove the validity of the analysis protocol and the reliability of the free energy profile. Remarkably, we can compare directly the obtained unbinding free energies with the previously known bulk binding free energies, bridging the gap between bulk and single molecule techniques. info:eu-repo/grantAgreement/ES/MINECO/BIO2013-42978-P info:eu-repo/grantAgreement/ES/MINECO/FIS2011-25167 info:eu-repo/grantAgreement/ES/MINECO/FIS2014-55867 info:eu-repo/grantAgreement/ES/MINECO/MAT2012-35358 info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 3.906 2017 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9 / 36 = 0.25 2017 Q1 T1 CHEMISTRY, PHYSICAL 46 / 146 = 0.315 2017 Q2 T1 1.686 2017 Physics and Astronomy (miscellaneous) 2017 Q1 Physical and Theoretical Chemistry 2017 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Marcuello, Carlos (orcid)0000-0003-3459-8605 Lostao, Anabel Universidad de Zaragoza (orcid)0000-0001-7460-5916 Gómez-Moreno, Carlos Universidad de Zaragoza (orcid)0000-0003-4087-4733 Mazo, Juan J. Universidad de Zaragoza (orcid)0000-0003-0698-6555 Falo, Fernando Universidad de Zaragoza (orcid)0000-0002-9551-624X 1002 060 Universidad de Zaragoza Dpto. Bioq.Biolog.Mol. Celular Área Bioquímica y Biolog.Mole. 2003 395 Universidad de Zaragoza Dpto. Física Materia Condensa. Área Física Materia Condensada 19, 6 (2017), 4567-4575 Phys. chem. chem. phys. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 4338200 http://zaguan.unizar.es/record/64360/files/texto_completo.pdf Postprint 104518 http://zaguan.unizar.es/record/64360/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:64360 articulos driver 2023-03-13-13:54:29 ARTICLE