Join the Second COVID Moonshot Weekly Sprint!
Help us reach our weekend goal so the COVID Moonshot can make rapid progress toward a COVID-19 therapy! The First COVID Moonshot Weekly Sprint has just come to a close!…
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Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
Machine learning encompasses tools and algorithms that are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting valuable information from the enormous amounts of data generated by simulation of complex systems. We provide here a review of our curre…
Read moreIntroducing COVID Moonshot weekly sprints: Help us discover a new therapy
Join our weekly sprints to prioritize compounds to make and test!
Read moreCitizen Scientists Create an Exascale Computer to Combat COVID-19
Maxwell I Zimmerman, Justin R Porter, Michael D Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L Mallimadugula, Catherine E Kuhn, Jonathan H Borowsky, Rafal P Wiewiora, Matthew F D Hurley, Aoife M Harbison, Carl A Fogarty, Joseph E Coffland, Elisa Fadda, Vincent A Voelz, John…
Read moreConformational distributions of isolated myosin motor domains encode their mechanochemical properties.
Myosin motor domains perform an extraordinary diversity of biological functions despite sharing a common mechanochemical cycle. Motors are adapted to their function, in part, by tuning the thermodynamics and kinetics of steps in this cycle. However, it remains unclear how sequence encodes these differences, since biochemically distinct motors often have nearly indistinguishable crystal structures. We hypothesized that sequences produce distinct biochemical phenotypes by modulating the r…
Read moreThe Covid Moonshot
Folding@home Consortium scientists have been working hard over the past three months to support experimental collaborators working to develop new therapies for COVID-19. One of these experimental collaborations is with the COVID Moonshot,…
Read moreGoing after the mysterious SARS-COV-2 Envelope protein
Ion channels act as doors for cells: they open and close to let in and out the particles that carry electrical charge, the ions. Ion channels are therefore at the…
Read moreNEW FOLDING@HOME SOFTWARE WITH THE OPTION TO PRIORITIZE COVID-19 PROJECTS
In response to popular demand, we have created an update to the Folding@home software that allows you to prioritize COVID-19 projects. We encourage you to upgrade as the new software…
Read moreNEW SIMULATIONS TO SEARCH FOR COVID-19 TREATMENT VIA REPURPOSING EXISTING NTP ANALOG DRUGS THAT TARGET VIRAL RNA REPLICATION
Coronavirus (CoV) has a capsid that envelops the single-stranded RNA genome. Three structural proteins are shown to be associated with the capsid: membrane, envelope, and the spike protein. Chemical compounds…
Read moreCAPTURING THE COVID-19 DEMOGORGON (AKA SPIKE) IN ACTION
The spike of the SARS-CoV-2 virus (shown below) is one particularly appealing target for designing therapeutics to combat the COVID-19 disease. It is actually comprised of three identical proteins arranged…
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