65 citations · 65 across the 4 of their papers we have counts for
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physics.bio-ph2020
Drug design principles from electric field calculations: understanding SARS-CoV-2 main protease interaction with X77 non-covalent inhibitor
Valerie Vaissier Welborn
Fast and effective drug discovery processes rely on rational drug design to circumvent the tedious and expensive trial and error approach. However, accurate predictions of new reme…
physics.chem-ph2020
The Critical Role of Thermal Fluctuations for Electrocatalytic Metal Surface Properties and CO Binding Trends
Wan-Lu Li, Christianna N. Lininger, Valerie Vaissier Welborn +4
This work addresses a longstanding theoretical discrepancy using Density Functional Theory (DFT) with experimental observations of CO binding trends on electrocatalytically relevan…