65 citations · 65 across the 4 of their papers we have counts for
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physics.chem-ph2019
Interplay of Water and a Supramolecular Capsule for Catalysis of Reductive Elimination Reaction from Gold
Valerie Vaissier Welborn, Wan-Lu Li, Teresa Head-Gordon
Supramolecular assemblies have gained tremendous attention due to their apparent ability to catalyze reactions with the efficiencies of natural enzymes. Using Born-Oppenheimer mole…
physics.chem-ph2019
Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid Isomerase
Valerie Vaissier Welborn, Teresa Head-Gordon
We report the effect of conformational dynamics on the fluctuations of electric fields in the active site of the enzyme Ketosteroid Isomerase (KSI). While KSI is considered rigid w…