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Alexander D. Wade

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affiliation: University College London, Department of Chemistry, UK
affiliation: University of Cambridge, Cavendish Laboratory, UK

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2020 – today

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2023
[j5]
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Mateusz K. Bieniek, Alexander D. Wade, Agastya P. Bhati, Shunzhou Wan, Peter V. Coveney:
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal. J. Chem. Inf. Model. 63(3): 718-724 (2023)
[j4]
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Shunzhou Wan, Agastya P. Bhati, Alexander D. Wade, Peter V. Coveney:
Ensemble-Based Approaches Ensure Reliability and Reproducibility. J. Chem. Inf. Model. 63(22): 6959-6963 (2023)
2020
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Alexander D. Wade, David J. Huggins:
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method. J. Chem. Inf. Model. 60(11): 5580-5594 (2020)

2010 – 2019

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2019
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Alexander D. Wade, Andrea Rizzi, Yuanqing Wang, David J. Huggins:
Computational Fluorine Scanning Using Free-Energy Perturbation. J. Chem. Inf. Model. 59(6): 2776-2784 (2019)
2018
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Alexander D. Wade, Lee-Ping Wang, David J. Huggins:
Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties. J. Chem. Inf. Model. 58(9): 1766-1778 (2018)

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