Evaluating protein force fields
New projects from the Voelz lab focus on assessing how well modern force fields can model proteins, the biological machines of the cell.
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Unprotected peptide macrocyclization and stapling via a fluorine-thiol displacement reaction
Over 1.8 milliseconds of simulation time on Folding@home helps understand a new class of stapled peptide therapeutics that show enhanced inhibition of cancer cell growth.
Read moreSARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
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.
Read more2021 in review, and happy new year 2022
This past year, we have largely focused on following through on our commitment to take on SARS-CoV-2. Looking ahead, there’s more work to be done on the pandemic, and we…
Read moreCOVID MOONSHOT SPRINT 11: The home stretch
Rev up your GPUs and help us in the final stretch of nominating a patent-free oral antiviral for preclinical studies!
Read moreEditorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function
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.
Read moreEquilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites
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.
Read moreClassic paper: Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty
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.
Read moreCirculating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
Folding@home helps experimental collaborators understand mutations that drive increased fitness of SARS-CoV-2 mutants.
Read moreAntibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
An ideal anti-SARS-CoV-2 antibody would resist viral escape 1-3 , have activity against diverse SARS-related coronaviruses 4-7 , and be highly protective through viral neutralization 8-11 and effector functions 12,13 . Understanding how these properties relate to each other and vary across epitopes would aid development of antibody therapeutics and guide vaccine design…
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