COVID Moonshot Sprint 10

Sprint 10 aims to help optimize the P1 pocket substituent to work around metabolism issues with our current best lead compounds. We’ve been quiet lately, but that’s because we’ve been…

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Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions

The prediction of acid dissociation constants (pK(a)) is a prerequisite for predicting many other properties of a small molecule, such as its protein-ligand binding affinity, distribution coefficient (log D), membrane permeability, and solubility. The prediction of each of these properties requires knowledge of the relevant protonation states and solution free energy penalties of each state. The SAMPL6 pK(a) Challenge was the first time that a separate challenge was conducted for evaluating…
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Forum Outage

Apologies to all for the unexpected downtime of the forum. An auto-update to the SSL certificate failed to go through and fixing it was delayed by the holidays. We hope…

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20th-anniversary live stream

To celebrate the 20th anniverary of Foldingathome we are hosting a celebration live stream: When? Wednesday the 18th at Noon – 3:30 PM pacific time Where? Twitch.tv/foldingathomehomedotorg Recorded video: https://www.twitch.tv/videos/807988760…

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