Shunzhou Wan
21PUBLICATIONS
22CO-AUTHORS
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Publications (21)
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|Sep 22, 2025
Rapid, accurate, and reproducible de novo prediction of resistance to antituberculars.Xibei Zhang, Shunzhou Wan, Agastya P Bhati
|Jun 16, 2025
Synthetic Retinoids for the Modulation of Genomic and Nongenomic Processes in Neurodegenerative Diseases.Abbey M Butler, David R Chisholm, Charles W E Tomlinson
|Dec 16, 2024
Equilibrium and Nonequilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations.Agastya P Bhati, Shunzhou Wan, Peter V Coveney
|Sep 03, 2024
Optimal Molecular Design: Generative Active Learning Combining REINVENT with Precise Binding Free Energy Ranking Simulations.Hannes H Loeffler, Shunzhou Wan, Marco Klähn
|Nov 15, 2023
Ensemble-Based Approaches Ensure Reliability and Reproducibility.Shunzhou Wan, Agastya P Bhati, Alexander D Wade
|Oct 20, 2023
Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions.Shunzhou Wan, Agastya P Bhati, Peter V Coveney
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Frequent Collaborators
21 joint publications
Peter V Coveney
6 joint publications
Agastya P Bhati
5 joint publications
David W Wright
3 joint publications
Herman van Vlijmen
3 joint publications
Gary Tresadern
2 joint publications
Christophe Meyer
2 joint publications
Fouad S Husseini
1 joint publications
Yuan Hu
1 joint publications
Andrew Potterton
1 joint publications
Andrea Townsend-Nicholson
