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Modelling GPCR homodimers using molecular dynamics simulations

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dc.contributor Universitat de Vic - Universitat Central de Catalunya. Facultat de Ciències i Tecnologia
dc.contributor Universitat de Vic - Universitat Central de Catalunya. Màster Universitari en Anàlisi de Dades Òmiques
dc.contributor.author García Recio, Adrián
dc.date.accessioned 2019-03-14T17:30:31Z
dc.date.available 2019-03-14T17:30:31Z
dc.date.created 2018-09-17
dc.date.issued 2018-09-17
dc.identifier.uri http://hdl.handle.net/10854/5737
dc.description Curs 2017-2018 es
dc.description.abstract G protein-coupled receptors (GPCRs) form the largest family of membrane proteins in the human genome and are involved in important physiological functions. Therefore, they are very attractive pharmacological targets for the pharmaceutical industry. Although GPCRs have traditionally been described as monomeric receptors, they also form homodimers, heterodimers, and higher-order oligomers, with specific functions different from those of individual receptors. The growth of the number of crystal structures in recent years provided many crystallographic protomer-protomer contacts that may be feasible in the cell membrane (including homodimers, homotrimers and homotetramers). Although these structures do not necessary represent biologically relevant states, they could be used as a starting point to understand the interactions that determine the formation of dimer. In the present work we aim to quantitatively evaluate these contacts by using molecular dynamics of 58 different crystallographic dimers. We conclude that 34 interfaces may represent actual dimers, 25 in the head-to-head model and 9 the head-to-tail mode. The results may help to develop structural models of homomers and heteromers of GPCR. es
dc.format application/pdf es
dc.format.extent 26 p. es
dc.language.iso eng es
dc.rights Tots els drets reservats es
dc.subject.other Dinàmica molecular es
dc.subject.other Oligòmers es
dc.subject.other Proteïnes G es
dc.title Modelling GPCR homodimers using molecular dynamics simulations es
dc.type info:eu-repo/semantics/masterThesis es
dc.rights.accesRights info:eu-repo/semantics/closedAccess es

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