Soluble State of Villin Headpiece Protein as a Tool in the Assessment of MD Force Fields

Overview of attention for article published in Journal of Physical Chemistry B, June 2021

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RT @JPhysChem: In vitro, HP36 is 90% monomeric and 10% dimeric up to 1 mM. CHARMM36m and Amber ff14SB reproduce these results at 1 mM but…

In vitro, HP36 is 90% monomeric and 10% dimeric up to 1 mM. CHARMM36m and Amber ff14SB reproduce these results at 1 mM but overly promote dimer formation at 8.5 mM. Replacing TIP3P by TIP4P/2005 in Amber ff14SB increases HP36 solubility fivefold. http…

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