Message boards : News : New paper: Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations
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The latest scientific publication obtained with your support and computation is here: The exploration of intrinsically disordered proteins in isolation is a crucial step to understand their complex dynamical behavior. In particular, the emergence of partially ordered states has not been explored in depth. The experimental characterization of such partially ordered states remains elusive due to their transient nature. Molecular dynamics mitigates this limitation thanks to its capability to explore biologically relevant timescales while retaining atomistic resolution. Here, millisecond unbiased molecular dynamics simulations were performed in the exemplar N-terminal region of p53. In combination with state-of-the-art Markov state models, simulations revealed the existence of several partially ordered states accounting for ∼ 40% of the equilibrium population. Some of the most relevant states feature helical conformations similar to the bound structure of p53 to Mdm2, as well as novel 𝛽-sheet elements. This highlights the potential complexity underlying the energy surface of intrinsically disordered proteins. | |
ID: 55189 | Rating: 0 | rate: / Reply Quote | |
Nice! | |
ID: 55190 | Rating: 0 | rate: / Reply Quote | |
Congrats to the team and my fellow volunteers! ✨🥇✨ | |
ID: 55191 | Rating: 0 | rate: / Reply Quote | |
Congratulations! | |
ID: 55192 | Rating: 0 | rate: / Reply Quote | |
Very nice! | |
ID: 55193 | Rating: 0 | rate: / Reply Quote | |
Nice - congrats ... | |
ID: 55194 | Rating: 0 | rate: / Reply Quote | |
Has a badge been assigned for this one already? Yes it has. Note that the WUs were done in the past so relatively new crunchers won't show up.
Yes. I'll write up news gradually but badges are there already. But a "one-time-only" notice would suffice ... Where are you getting duplicate notifications? | |
ID: 55195 | Rating: 0 | rate: / Reply Quote | |
I realize this is the wrong place to ask, but I haven't seen much talk about it elsewhere on the forum: am I supposed to still be getting WUs from GPUGrid or is the project no longer sending out work? | |
ID: 55197 | Rating: 0 | rate: / Reply Quote | |
... or is the project no longer sending out work? Maybe you are new to BOINC. But you check the server status page first. http://www.gpugrid.net/server_status.php | |
ID: 55198 | Rating: 0 | rate: / Reply Quote | |
Ah, ok. So no more currently queued up tasks. Is the project going onto a "permanent" hiatus like Seti@home or should I leave the project attached to my BOINC for future/upcoming WUs? :) | |
ID: 55200 | Rating: 0 | rate: / Reply Quote | |
Ah, ok. So no more currently queued up tasks. Is the project going onto a "permanent" hiatus like Seti@home or should I leave the project attached to my BOINC for future/upcoming WUs? :) Work units are still being sent, but hard to get at the moment. Looking forward to a pickup in activity soon! Toni posted this in regards to current status of project: https://gpugrid.net/forum_thread.php?id=5154&nowrap=true#55196 | |
ID: 55202 | Rating: 0 | rate: / Reply Quote | |
They have just finished up two large runs, the biggest I have ever seen. It takes them a while to digest the results, write their papers, etc. | |
ID: 55203 | Rating: 0 | rate: / Reply Quote | |
I can't download tasks? is this project finished or is the server being worked on? Thanks | |
ID: 55205 | Rating: 0 | rate: / Reply Quote | |
Congratulations for your work and thank you for making us (a little) contribute to a better understanding of biology. | |
ID: 55226 | Rating: 0 | rate: / Reply Quote | |
Wow! Another big run of MDADex2s WUs, folks. | |
ID: 55228 | Rating: 0 | rate: / Reply Quote | |
Message boards : News : New paper: Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations