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Tag: paper

SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids

January 15, 2022 by Anton Thynell
An experimental paper from the COVID Moonshot consortium—a collaboration involving Folding@home to discover new SARS-CoV-2 antivirals—shows that a compound discovered with the help of Folding@home is effective in suppressing the eplication of SARS-CoV-2.

An experimental paper from the COVID Moonshot consortium—a collaboration involving Folding@home to discover new SARS-CoV-2 antivirals—shows that a compound discovered with the help of Folding@home is effective in suppressing the eplication of SARS-CoV-2.

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Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function

December 15, 2021 by Anton Thynell
Folding@home Director Greg Bowman steps into an experimental biology laboratory.

In a new Editorial, Folding@home Director Greg Bowman and collaborators explain how simulation and experiment can work together to illuminate the detailed mechanisms of biology and disease.

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Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites

December 9, 2021 by Anton Thynell
Crystal structures of TEM-1 β-lactamase (A) in the absence of ligand and (B) in the presence of an allosteric inhibitor that reveals a cryptic binding site between helices 11 and 12.

A new paper from the Bowman lab proposes that potentially druggable cryptic allosteric sites may be even more ubiquitous than previously thought, and that our new simulation methods should be a valuable means of guiding the search for such sites.

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Classic paper: Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty

December 9, 2021 by Anton Thynell
Hierarchy of microstate clusters into macrostates achieved with Bayesian Agglomerative Clustering (BACE)

This classic paper from Folding@home Director Greg Bowman describes a Bayesian approach to clustering microstates into metastable states for building Markov state models, a foundational Folding@home technology.

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