Project 11713 (and 11714, GPU, Core21) on FAH

[rafwiewiora]

Apologies, I've realized projects 11713 and 11714 have not had a thread here - adding now in case any problems still show up in the future.

Stats:

11713 and 11714:
# atoms: 35198
credit: 15965
k-factor: 0.75
timeout: 7d
deadline: 10d
precision: mixed

Study of the biophysical effects of cancer mutations of histone methyltransferase SETD8

In project 11713 we are looking at histone lysine methyltransferase SETD8 in the context of its cancer mutations. This protein has been found overexpressed in a number of cancers including bladder cancer, non-small cell and small cell lung carcinoma, chronic myelogenous leukemia, hepatocellular carcinoma, and pancreatic cancer. In some cancers, it has been found to promote tumorigenesis, and it has been implicated in cancer invasiveness and metastasis [DOI: 10.1186/s13148-016-0268-4]. In a series of past and current projects we have been interested in understanding the conformational landscape of SETD8 in as much detail as possible, so that eventually selective small molecule inhibitors and chemical probes can be designed and tested. In this particular project we aim to explore the effect of over 20 mutations seen in cancer patients on the stability of SETD8 in its active conformation.

Project 11714 holds some extra CLONEs of project 11713 on another server in case of too many requests to the primary server or a malfunction - you should expect it to be assigned only rarely.