COVID Moonshot Sprint 4
As the COVID Moonshot continues to make rapid progress, the fourth free energy sprint focused on a backup lead series that suddenly pulls into the lead!
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Launching the Third Weekly Sprint for the COVID Moonshot!
We’re launching the third weekly compound prioritization sprint for the COVID Moonshot! This sprint focuses on our benzotriazole lead series. These compounds came about from a previous series of potent…
Read moreNew paper: predicting how mutations perturb folding
In a new article published in the Journal of Chemical Theory and Computation, researchers from the Voelz Lab address an important challenge for molecular simulation: how to efficiently predict the effects…
Read moreUsing F@H to “Drug the Undruggable”
In Project 10490, the Chodera lab is studying a small protein called KRAS, which forms a key link in growth signaling and cancer. This gene is something like a molecular…
Read moreUsing Folding@home to understand the molecular mechanism of mTOR activating mutants in kidney cancer
mTOR, a serine/threonine kinase first discovered in 1994, is a key signaling node that integrates a number of inputs to control processes such as cell growth and metabolism, among others.…
Read moremTOR: Projects 10491-10499
In projects 10491-10499, the Chodera lab takes a look at mTOR, a serine/threonine kinase. The MTOR gene was originally discovered in yeast in 1991 and named TOR1/2 because it was…
Read moreSimulating protein dynamics to find binding-competent states
Mutation to the tumor-suppressor protein p53 is a common feature in most cancers. MDM2–a protein whose job it is to downregulate p53 via their direct binding interaction–has therefore become a…
Read moreSrc kinase: Project 10471
In Project 10471 we at the Chodera lab are looking at Src kinase. The Src gene was first discovered as responsible for the tumorogenicity of Rous sarcoma virus. This gene…
Read moreFighting cancer on Folding@home: FDA approved kinase inhibitors
You may have noticed a trend in the type of proteins being simulated on Folding@home recently. A number of Folding@home labs are collaborating in an attempt to understand the role…
Read moreNew projects to help design selective inhibitors of protein methyltransferases
The Chodera lab has teamed up with Luo lab at MSKCC to study another important class of cancer targets: protein methyltransferases. These are protein-modifying enzymes that catalyze the transfer of…
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