dc.creator | Masone, Diego Fernando | |
dc.creator | Ciocco Aloia, Facundo | |
dc.creator | del Popolo, Mario Gabriel | |
dc.date.accessioned | 2016-12-27T14:14:45Z | |
dc.date.accessioned | 2018-11-06T11:39:48Z | |
dc.date.available | 2016-12-27T14:14:45Z | |
dc.date.available | 2018-11-06T11:39:48Z | |
dc.date.created | 2016-12-27T14:14:45Z | |
dc.date.issued | 2013-06 | |
dc.identifier | Masone, Diego Fernando; Ciocco Aloia, Facundo; del Popolo, Mario Gabriel; H-bond refinement for electron transfer membrane-bound protein-protein complexes: cytochrome c oxidase and cytochrome c552; Elsevier; Computational Biology And Chemistry; 47; 6-2013; 31-36 | |
dc.identifier | 1476-9271 | |
dc.identifier | http://hdl.handle.net/11336/10280 | |
dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1857138 | |
dc.description.abstract | In this study we propose a protocol to evaluate membrane-bound cytochrome c oxidase–cytochrome c552 docking candidates. An initial rigid docking algorithm generates docking poses of the cytochrome c oxidase–cytochrome c552, candidates are then aggregated into a 512-DPPC membrane model and solvated in explicit solvent.Molecular dynamic simulations are performed to induce conformational changes to membrane-bound protein complexes. Lastly each protein–protein complex is optimized in terms of its hydrogen bond network, evaluated energetically and ranked. The protocol is directly applicable to other membrane-protein complexes, such as protein–ligand systems. | |
dc.language | eng | |
dc.publisher | Elsevier | |
dc.relation | info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1476927113000558 | |
dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.compbiolchem.2013.05.004 | |
dc.rights | https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ | |
dc.rights | info:eu-repo/semantics/openAccess | |
dc.subject | CYTOCHROME C | |
dc.subject | DOCKING | |
dc.subject | MEMBRANE | |
dc.subject | DPPC | |
dc.subject | PROTEIN-PROTEIN | |
dc.subject | MOLECULAR DYNAMICS | |
dc.title | H-bond refinement for electron transfer membrane-bound protein-protein complexes: cytochrome c oxidase and cytochrome c552 | |
dc.type | Artículos de revistas | |
dc.type | Artículos de revistas | |
dc.type | Artículos de revistas | |