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GPCRmd uncovers the dynamics of the 3D-GPCRome

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cris.lastimport.scopus2024-02-12T19:29:30Z
dc.abstract.enG-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and are the most frequent targets of approved drugs. The explosion in the number of new three-dimensional (3D) molecular structures of GPCRs (3D-GPCRome) over the last decade has greatly advanced the mechanistic understanding and drug design opportunities for this protein family. Molecular dynamics (MD) simulations have become a widely established technique for exploring the conformational landscape of proteins at an atomic level. However, the analysis and visualization of MD simulations require efficient storage resources and specialized software. Here we present GPCRmd (http://gpcrmd.org/), an online platform that incorporates web-based visualization capabilities as well as a comprehensive and user-friendly analysis toolbox that allows scientists from different disciplines to visualize, analyze and share GPCR MD data. GPCRmd originates from a community-driven effort to create an open, interactive and standardized database of GPCR MD simulations.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorZachariae, Ulrich
dc.contributor.authorWeinstein, Harel
dc.contributor.authorFabritiis, Gianni De
dc.contributor.authorHildebrand, Peter W.
dc.contributor.authorWorp, Nathalie
dc.contributor.authorMorales-Pastor, Adrián
dc.contributor.authorVarela-Rial, Alejandro
dc.contributor.authorGloriam, David E.
dc.contributor.authorSanz, Ferran
dc.contributor.authorOlivella, Mireia
dc.contributor.authorProvasi, Davide
dc.contributor.authorPerez-Benito, Laura
dc.contributor.authorPándy-Szekeres, Gáspár
dc.contributor.authorMedel-Lacruz, Brian
dc.contributor.authorMatsoukas, Minos-Timotheos
dc.contributor.authorMayol, Eduardo
dc.contributor.authorVasile, Silvana
dc.contributor.authorSelent, Jana
dc.contributor.authorTorrecillas, Iván R.
dc.contributor.authorRíos, Santiago
dc.contributor.authorSztyler, Agnieszka
dc.contributor.authorSallander, Jessica
dc.contributor.authorStepniewski, Tomasz Maciej
dc.contributor.authorKapla, Jon
dc.contributor.authorRamírez-Anguita, Juan Manuel
dc.contributor.authorKolb, Peter
dc.contributor.authorKhelashvili, George
dc.contributor.authorTorrens-Fontanals, Mariona
dc.contributor.authorRodríguez-Espigares, Ismael
dc.contributor.authorAranda-García, David
dc.contributor.authorTiemann, Johanna K. S.
dc.contributor.authorMarti-Solano, Maria
dc.contributor.authorMatricon, Pierre
dc.contributor.authorCarlsson, Jens
dc.contributor.authorGiorgino, Toni
dc.contributor.authorDeupi, Xavier
dc.contributor.authorGuixà-González, Ramon
dc.contributor.authorCordomi, Arnau
dc.contributor.authorJespers, Willem
dc.contributor.authorJiménez-Rosés, Mireia
dc.contributor.authorGómez-Tamayo, José Carlos
dc.contributor.authorFilizola, Marta
dc.contributor.authorGutiérrez-de-Terán, Hugo
dc.contributor.authorGonzalez, Angel
dc.contributor.authorMiszta, Przemysław
dc.contributor.authorLatek, Dorota
dc.contributor.authorFilipek, Sławomir
dc.date.accessioned2024-01-25T02:22:18Z
dc.date.available2024-01-25T02:22:18Z
dc.date.issued2020
dc.description.financePublikacja bezkosztowa
dc.description.number8
dc.description.volume17
dc.identifier.doi10.1038/S41592-020-0884-Y
dc.identifier.issn1548-7091
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/108076
dc.identifier.weblinkhttp://www.nature.com/articles/s41592-020-0884-y.pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofNature Methods
dc.relation.pages777-787
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleGPCRmd uncovers the dynamics of the 3D-GPCRome
dc.typeJournalArticle
dspace.entity.typePublication