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"au:"Joe Z. Wu"" — arXiv2 Search
Showing 1–5 of 5 results
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Jul 12, 2021
Application of the Alchemical Transfer and Potential of Mean Force Methods to the SAMPL8 Host-Guest Blinded Challenge
May 13, 2020
Alchemical Transformations for Concerted Hydration Free Energy Estimation with Explicit Solvation
Jan 19, 2021
Alchemical Transfer Approach to Absolute Binding Free Energy Estimation
Jul 12, 2021
Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method
Feb 16, 2023
Taming Multiple Binding Poses in Alchemical Binding Free Energy Prediction: the $β$-cyclodextrin Host-Guest SAMPL9 Blinded Challenge