dc.creator | Plata Ramos, Carlos Alberto | es |
dc.creator | Scholl, Zackary N. | es |
dc.creator | Marszalek, Piotr E. | es |
dc.creator | Prados Montaño, Antonio | es |
dc.date.accessioned | 2023-03-23T12:26:13Z | |
dc.date.available | 2023-03-23T12:26:13Z | |
dc.date.issued | 2018 | |
dc.identifier.citation | Plata Ramos, C.A., Scholl, Z.N., Marszalek, P.E. y Prados Montaño, A. (2018). Relevance of the Speed and Direction of Pulling in Simple Modular Proteins. Journal of Chemical Theory and Computation, 14 (6), 2910-2948. https://doi.org/10.1021/acs.jctc.8b00347. | |
dc.identifier.issn | 1549-9618 | es |
dc.identifier.issn | 1549-9626 | es |
dc.identifier.uri | https://hdl.handle.net/11441/143535 | |
dc.description.abstract | A theoretical framework capable of predicting the first unit that unfolds in pulled modular proteins has been recently introduced, for “fast enough” pulling velocities. Within this picture, we investigate the unfolding pathway in a chain of identical units and predict that the module closest to the pulled end opens first. Steered molecular dynamics of a simple construct, specifically a chain composed of two coiled-coil motives, shows that this is indeed the case. Notwithstanding, the unfolding behavior strongly depends on the terminus (C or N) from which this homopolyprotein is pulled. Therefore, anisotropic features are revealed and seem to play an important role for the observed unfolding pathway. | es |
dc.description.sponsorship | Ministerio de Economía y Competitividad de España-FIS2014-53808-P | es |
dc.description.sponsorship | VI Plan Propio de la Universidad de Sevilla | es |
dc.description.sponsorship | National Science Foundation de los EE.UU.-MCB-1517245 | es |
dc.format | application/pdf | es |
dc.format.extent | 9 p. | es |
dc.language.iso | eng | es |
dc.publisher | American Chemical Society | es |
dc.relation.ispartof | Journal of Chemical Theory and Computation, 14 (6), 2910-2948. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Relevance of the Speed and Direction of Pulling in Simple Modular Proteins | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/acceptedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear | es |
dc.relation.projectID | FIS2014-53808-P | es |
dc.relation.projectID | USE-VIPPI | es |
dc.relation.projectID | MCB-1517245 | es |
dc.relation.publisherversion | https://doi.org/10.1021/acs.jctc.8b00347 | es |
dc.identifier.doi | 10.1021/acs.jctc.8b00347 | es |
dc.journaltitle | Journal of Chemical Theory and Computation | es |
dc.publication.volumen | 14 | es |
dc.publication.issue | 6 | es |
dc.publication.initialPage | 2910 | es |
dc.publication.endPage | 2948 | es |
dc.contributor.funder | Ministerio de Economía y Competitividad (MINECO). España | es |
dc.contributor.funder | Universidad de Sevilla | es |
dc.contributor.funder | National Science Foundation (NSF). United States | es |