| Literature DB >> 32661425 |
Ismael Rodríguez-Espigares1, Mariona Torrens-Fontanals1, Johanna K S Tiemann2,3, David Aranda-García1, Juan Manuel Ramírez-Anguita1, Tomasz Maciej Stepniewski1, Nathalie Worp1, Alejandro Varela-Rial4,5, Adrián Morales-Pastor1, Brian Medel-Lacruz1, Gáspár Pándy-Szekeres6, Eduardo Mayol7, Toni Giorgino8,9, Jens Carlsson10, Xavier Deupi11,12, Slawomir Filipek13, Marta Filizola14, José Carlos Gómez-Tamayo7, Angel Gonzalez7, Hugo Gutiérrez-de-Terán15, Mireia Jiménez-Rosés7, Willem Jespers15, Jon Kapla10, George Khelashvili16,17, Peter Kolb18, Dorota Latek13, Maria Marti-Solano18,19, Pierre Matricon10, Minos-Timotheos Matsoukas7,20, Przemyslaw Miszta13, Mireia Olivella7, Laura Perez-Benito7, Davide Provasi14, Santiago Ríos7, Iván R Torrecillas7, Jessica Sallander15, Agnieszka Sztyler13, Silvana Vasile15, Harel Weinstein16,17, Ulrich Zachariae21,22, Peter W Hildebrand2,3,23, Gianni De Fabritiis4,5, Ferran Sanz1, David E Gloriam6, Arnau Cordomi7, Ramon Guixà-González24,25, Jana Selent26.
Abstract
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.Mesh：
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Year: 2020 PMID： 32661425 DOI： 10.1038/s41592-020-0884-y
Source DB: PubMed Journal: Nat Methods ISSN： 1548-7091 Impact factor: 28.547