Cooperative 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…

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Fluorinated 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…

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Folding@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.  Folding@home does not endorse…

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