2026-04-18T03:16:10Zhttps://recercat.cat/oai/requestoai:recercat.cat:2072/4818822025-11-07T13:14:16Zcom_2072_98col_2072_378192
GPCRmd uncovers the dynamics of the 3D-GPCRome
Rodríguez-Espigares, Ismael
Torrens-Fontanals, Mariona
Tiemann, Johanna K. S
Aranda-García, David
Ramírez-Anguita, Juan Manuel
Stepniewski, Tomasz Maciej
Worp, Nathalie
Varela-Rial, Alejandro
Morales-Pastor, Adrián
Medel-Lacruz, Brian
Pándy-Szekeres, Gáspár
Mayol, Eduardo
Giorgino, Toni
Carlsson, Jens
Deupi, Xavier
Filipek, Slawomir
Filizola, Marta
Gómez-Tamayo, José Carlos
Gonzalez, Angel
Gutiérrez-de-Terán, Hugo
Jiménez-Rosés, Mireia
Jespers, Willem
Kapla, Jon
Khelashvili, George
Kolb, Peter
Latek, Dorota
Marti-Solano, Maria
Matricon, Pierre
Matsoukas, Minos-Timotheos
Miszta, Przemyslaw
Olivella, Mireia
Pérez-Benito, Laura
Provasi, Davide
Ríos, Santiago
Rodríguez Torrecillas, Iván
Sallander, Jessica
Sztyler, Agnieszka
Vasile, Silvana
Weinstein, Harel
Zachariae, Ulrich
Hildebrand, Peter Werner
De Fabritiis, Gianni
Sanz, Ferran
Gloriam, David E.
Cordomí Montoya, Arnau
Guixà González, Ramon
Selent, Jana
Altres ajuts: National Center of Science, Poland (grant number 2017/27/N/NZ2/02571, DEC-2012/07/D/NZ1/04244, 2017/25/B/NZ7/02788); Secretaria d'Universitats i Recerca del Departament d'Economia i Coneixement de la Generalitat de Catalunya (2015 FI_B00145); German Research Foundation DFG for Heisenberg professorship (KO4095/4-1, KO4095/5-1, KO4095/3-1); Swedish Research Council (2017-4676)
G-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.
2020
Article
https://ddd.uab.cat/record/307454
urn:10.1038/s41592-020-0884-y
urn:oai:ddd.uab.cat:307454
urn:oai:egreta.uab.cat:publications/dc2b5179-33b7-4c3f-ba2f-cac5b7e18c4a
urn:pure_id:99577694
urn:scopus_id:85087806297
urn:pmid:32661425
urn:articleid:15487105v17n8p777
eng
Ministerio de Educación, Cultura y Deporte FPU16/01209
Ministerio de Economía y Competitividad MDM-2014-0370
Agencia Estatal de Investigación BIO2017-82628-P
European Commission 823712
Ministerio de Economía y Competitividad PI15/00460
Instituto de Salud Carlos III PI18/00094
Nature Methods ; Vol. 17, Núm. 8 (August 2020), p. 777-787
open access
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