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20182023
most citedLearning from the Density to Correct Total Energy and Forces in First Principle Simulations

34 citations · 39 across the 3 of their papers we have counts for

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physics.chem-ph2023★ 1 cited

Taming Multiple Binding Poses in Alchemical Binding Free Energy Prediction: the -cyclodextrin Host-Guest SAMPL9 Blinded Challenge

Sheenam Khuttan, Solmaz Azimi, Joe Z. Wu +4

We apply the Alchemical Transfer Method (ATM) and a bespoke fixed partial charge force field to the SAMPL9 bCD host-guest binding free energy prediction challenge that comprises a…