Project 11728 (GPU, Core21) to ADVANCED

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Project 11728 (GPU, Core21) to ADVANCED

Postby rafwiewiora » Wed Sep 12, 2018 9:04 pm

Project 11728 now in ADVANCED!

Stats:

11728:
# atoms: 31231
credit: 7450
k-factor: 0.75
timeout: 7d
deadline: 10d
precision: mixed

The PRC2 complex is a therapeutic target for a number of cancers, currently undergoing clinical trials. It minimally consists of three proteins: EZH2, EED, and SUZ12. Its activity is regulated by a positive feedback loop, where the EED component reads already existing epigenetic marks and activates the EZH2 component to deposit more of them. Projects 11718-20 and 11728 are looking at the dynamics of the three individual components of the complex (11728 - EZH2, alternative starting conformation to 11720). We are studying the allosteric mechanisms that control the functions of this molecular machine, as well as the potential for disrupting these mechanisms for the design of the next generation of inhibitors. Thanks folks!
rafwiewiora
 
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