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I'm enhancing the ecm search range for B1=43e6 up to 2000 digits. Some test workunits are already send out with the name ecm_es_*test* and a short deadline of 1 day. Together with this the credit formula was changed.
By yoyo@home at 2020-07-31
I just wanted to let everyone know that new Nbody runs have been put up on MW@home. The last set of runs started converging nicely, so we are confident this next set of runs will converge as well. The names of these runs are:
Please let us know if you have any trouble with these runs. Thank you all for your continued support.
By milkyway@home at 2020-07-30
On July 28th, our server will be temporarily inaccessible due to a scheduled campus-wide internet outage. As such, job queues may not update for the day. However, everything should return to working order by the next day. We apologize for any inconvenience this may cause.
By milkyway@home at 2020-07-25
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). [Link] 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 [Link] 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 com...
By gpugrid at 2020-07-24
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