Journal
NATURE METHODS
Volume 17, Issue 8, Pages 777-+Publisher
NATURE PORTFOLIO
DOI: 10.1038/s41592-020-0884-y
Keywords
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Categories
Funding
- COST Action [CA18133, CM1207]
- European Research Network on Signal Transduction
- Spanish Ministry of Science, Innovation and Universities [FPU16/01209]
- National Center of Science, Poland [2017/27/N/NZ2/02571]
- Secretaria d'Universitats i Recerca del Departament d'Economia i Coneixement de la Generalitat de Catalunya [2015 FI_B00145]
- Swiss National Science Foundation [192780]
- German Research Foundation DFG [KO4095/4-1, KO4095/5-1, KO4095/3-1]
- MINECO (Unidad de Excelencia Maria de Maeztu) - AEI [CEX2018-000782-M, BIO2017-82628-P]
- FEDER
- European Union [823712]
- National Centre of Science in Poland [DEC-2012/07/D/NZ1/04244]
- DFG [Hi 1502, 168703014, SFB1423, 421152132]
- Stiftung Charite
- Einstein Foundation
- National Science Centre Poland [2017/25/B/NZ7/02788]
- Office of Research Infrastructure of the National Institutes of Health [S10OD018522, S10OD026880]
- Extreme Science and Engineering Discovery Environment (XSEDE) - National Science Foundation [MCB080077, ACI-1548562]
- HPC-EUROPA3 [INFRAIA-2016-1-730897]
- EC Research Innovation Action under the H2020 Programme
- Swedish Research Council [2017-4676]
- Swedish strategic research program eSSENCE
- Science for Life Laboratory
- NSF [1740990]
- 1923 Fund
- Lundbeck Foundation [R1632013-16327]
- European Research Council [639125]
- Innovative Medicines Initiative 2 Joint Undertaking [802750]
- European Union
- ISCIII
- FEDER [PT17/0009/0014]
- AEI [CEX2018-000782-M]
- Agencia de Gestio d'Ajuts Universitaris i de Recerca (AGAUR), Generalitat de Catalunya [2017 SGR 00519]
- Instituto de Salud Carlos III FEDER [PI15/00460, PI18/00094]
- ERA-NET NEURON
- Ministry of Economy, Industry and Competitiveness [AC18/00030]
- Div Of Information & Intelligent Systems
- Direct For Computer & Info Scie & Enginr [1740990] Funding Source: National Science Foundation
- European Research Council (ERC) [639125] Funding Source: European Research Council (ERC)
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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.
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