A Site-Specific ImmunoPET Tracer to Image PD-L1.
A Site-Specific ImmunoPET Tracer to Image PD-L1. Mol Pharm. 2019 Mar 15;: Authors: Wissler HL, Ehlerding EB, Lyu Z, Zhao Y, Zhang S, Eshraghi A, Buuh ZY, McGuth JC, Guan…
Read moreNews
An in-depth article with Greg Bowman, the new director of Folding@Home.
Read more in this article from Washington University in St Louis.
Read moreCooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling.
Proteins are dynamic molecules that undergo conformational changes to a broad spectrum of different excited states. Unfortunately, the small populations of these states make it difficult to determine their structures or functional implications. Computer simulations are an increasingly powerful means to identify and characterize functionally relevant excited states. However, this advance has uncovered a further challenge: it can be extremely difficult to identify the most salient feature…
Read moreFluorinated Aromatic Monomers as Building Blocks to Control α-Peptoid Conformation and Structure.
Peptoids are peptidomimetics of interest in the fields of drug development and biomaterials. However, obtaining stable secondary structures is challenging and designing these requires effective control of the peptoid tertiary amide cis/trans equilibrium. Herein, we report new fluorine containing aromatic monomers that can control peptoid conformation. Specifically, we demonstrate that a fluoro-pyridine group can be used to circumvent the need for monomer chirality to control the cis/tra…
Read moreFolding@home’s New Director: Prof. Gregory Bowman
After a successful transition period working alongside Dr. Pande as a co-Director, I’m pleased to begin serving as the Director of Folding@home. I’d like to take this opportunity to thank…
Read moreNative client points adjustment
It has come to our attention that the points for native client work units are over-inflated relative to their scientific value, so we will be reducing the credit for these…
Read moreFolding@home policy on cryptocurrencies
In light of recent discussions within the Folding@home community concerning our relationship to cryptocurrencies, we would like to take this opportunity to make an official statement. Â Folding@home does not endorse…
Read moreWhat Makes a Kinase Promiscuous for Inhibitors?
ATP-competitive kinase inhibitors often bind several kinases due to the high conservation of the ATP binding pocket. Through clustering analysis of a large kinome profiling dataset, we found a cluster of eight promiscuous kinases that on average bind more than five times more kinase inhibitors than the other 398 kinases in the dataset. To understand the structural basis of promiscuous inhibitor binding, we determined the co-crystal structure of the receptor tyrosine kinase DDR1 wit…
Read moreAdvanced Methods for Accessing Protein Shape-Shifting Present New Therapeutic Opportunities.
A protein is a dynamic shape-shifter whose function is determined by the set of structures it adopts. Unfortunately, atomically detailed structures are only available for a few conformations of any given protein, and these structures have limited explanatory and predictive power. Here, we provide a brief historical perspective on protein dynamics and introduce recent advances in computational and experimental methods that are providing unprecedented access to protein shape-shifting. Nex…
Read moreAtomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY.
The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. Here, we report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold …
Read more