Protein folding simulation, from denatured to native state.

The movie presents an animation of a protein GB1 folding from denatured to the native structure. The folding process of the 56-residue protein was explored by a multiscale modeling. The multiscale simulations are based on the idea of hierarchical approach. Coarse-grained effective search of the conformational space is followed by reliable transition into the all-atom resolution. The movie in better quality for download is available at the Laboratory website www.biocomp.chem.uw.edu.pl

Category:

Film & Animation

Tags:

• protein
• folding
• simulation
• modeling
• structure
• pathway
• denatured

[danbolser]

Very nice!

In the last image of the 'best obtained structure', how was 'best' defined? Was this simply lowest RMSD? Could you find the 'best' without reference to the native?

Also...

How many proteins can this method be applied to? How long did it take to obtain this structure? Have you tried to predict some small proteins of unknown structure using this method? Where are the predictions? Have any been validated?

Thanks for the movie! Can you upload some more? :-D

[sek177]

thanks! and sorry for late response (I didn't check youtube account)

- yes it was simply the lowest rmsd

- yes there are some methods to find one of the best..

- you can apply this to how many you wish:)

- very quickly (tens of minutes)

- yes, results are for example at CASP6 - kolinski-bujnicki group

[rufusnolan512]

Your video is a favorite on Phnom Penh

[flobleobble]

eh?



[Blacklemon67a]

this is so friggin cool

[NomNomMouse]

looks disgusting, but id want it on pizza

[bvssvni]

Looks like spaghetti. Mmmmm....

[hallo55r]

i need more members for folding@home

team name coolmatic

team number 533254

[greenheadjoe]

great stuff.

i have the Folding@Home software on my computer.

Its animation is much less appealing.

(i know it is not about the garphics...)

[yoshinoya551]

Excellent