I'm moving projects 9832-5 to ADV. They are refined versions of past projects 9810-9817 and 9820-9827. The science is the same as before:
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Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
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projects 9832 9833 9834 9835
base credit 6985 7013 6996 7031
All four projects:
20K atoms in each project
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
Only NVidia GPUs, Linux/Win
Thanks for folding!
