Advanced search

Message boards : News : New paper 2/2: GPCRmd uncovers the dynamics of the 3D-GPCRome

Author Message
Toni
Volunteer moderator
Project administrator
Project developer
Project tester
Project scientist
Send message
Joined: 9 Dec 08
Posts: 1006
Credit: 5,068,599
RAC: 0
Level
Ser
Scientific publications
watwatwatwat
Message 55111 - Posted: 24 Jul 2020 | 16:26:51 UTC
Last modified: 24 Jul 2020 | 16:51:33 UTC

The second paper is

Rodríguez-Espigares, I., Torrens-Fontanals, M., Tiemann, J.K.S. et al. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nat Methods (2020). 10.1038/s41592-020-0884-y

here, your computations have been used to build a database of configurations for most types and subtypes of GPCR-class proteins. GPCRs are "do-all" receptors - there are many many subtypes, each with activators and inhibitors. The GPCRmd database provides for the first time a *systematic* coverage of their dynamics.



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.


...





14310 1 107681600
101936 2 96720000
483287 3 83904600
500240 4 74393800
306281 5 57790200
93201 6 55775200
100499 7 53115400
504924 8 51664600
25378 9 50858600
62100 10 32240000
125700 11 31837000
73475 12 29983200
69336 13 27645800
28899 14 23615800
31053 15 22406800
146761 16 21439600
497873 17 20230600
13127 18 20069400
36684 19 19666400
126468 20 19021600

[CSF] Thomas H.V. DUPONT
Send message
Joined: 20 Jul 14
Posts: 732
Credit: 100,630,366
RAC: 0
Level
Cys
Scientific publications
watwatwatwatwatwatwatwat
Message 55113 - Posted: 24 Jul 2020 | 16:31:20 UTC

Double nice!
Thanks again Toni!
____________
[CSF] Thomas H.V. Dupont
Founder of the team CRUNCHERS SANS FRONTIERES 2.0
www.crunchersansfrontieres

Keith Myers
Send message
Joined: 13 Dec 17
Posts: 1284
Credit: 4,922,581,959
RAC: 6,423,805
Level
Arg
Scientific publications
watwatwatwatwat
Message 55116 - Posted: 24 Jul 2020 | 17:21:00 UTC

+100
Thanks, Toni.

rod4x4
Send message
Joined: 4 Aug 14
Posts: 266
Credit: 2,219,935,054
RAC: 0
Level
Phe
Scientific publications
watwatwatwatwatwatwatwatwatwat
Message 55127 - Posted: 26 Jul 2020 | 6:10:26 UTC
Last modified: 26 Jul 2020 | 6:47:50 UTC

Names added to list of users
Apologies for any errors. Please correct as required.

14310 1 107681600 Retvari Zoltan 101936 2 96720000 Rion Family 483287 3 83904600 grcpool.com 500240 4 74393800 grcpool.com-2 306281 5 57790200 PappaLitto 93201 6 55775200 RaymondFO* 100499 7 53115400 jjch 504924 8 51664600 grcpool.com-3 25378 9 50858600 Stoneageman 62100 10 32240000 vanos0512 125700 11 31837000 Erich56 73475 12 29983200 Viktor Svantner 69336 13 27645800 neilp62 28899 14 23615800 Bob Deller 31053 15 22406800 Thomas M. Taylor 146761 16 21439600 JoergF 497873 17 20230600 Jackal 13127 18 20069400 Betting Slip 36684 19 19666400 Grzegorz Roman Granowski 126468 20 19021600 Gunde

kain
Send message
Joined: 3 Sep 14
Posts: 152
Credit: 641,182,245
RAC: 0
Level
Lys
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwat
Message 55128 - Posted: 26 Jul 2020 | 11:58:38 UTC

Great news! Thank you :)

Post to thread

Message boards : News : New paper 2/2: GPCRmd uncovers the dynamics of the 3D-GPCRome

//