AI for Drug Discovery in Two Stories
TL;DR: Today, we are excited to share two papers that tell distinct stories about AI drug discovery: 1. “Spatial Graph Convolutions for Drug Discovery” describes new deep neural network architectures…
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Android client overhaul
“In October 2017 we announced the open sourcing of the Folding@Home Android client developed by Sony. We want to thank everyone who have contributed with CPU time. From the 16th…
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 moreUnderstanding epigenetic cancer targets with Folding@home: Histone methyltransferases NSD1, NSD2, and NSD3
The Chodera Lab at the Memorial Sloan Kettering Cancer Center is now running a series of projects to study the conformational dynamics of histone methyltransferases to aid in the rational design of new small molecule…
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 moreIntroducing Shukla Group@Illinois
Shukla group (http://www.shuklagroup.org) at University of Illinois at Urbana-Champaign has just configured new Folding@home servers (ds01[a-d].scs.illionis.edu), which would help us carry out exciting computational experiments in collaboration with the vibrant…
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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