Alexander D. Wade

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 5

Top Topics

Distribution Function

Belief Propagation

Top Venues

J. Chem. Inf. Model.

Publications

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) (2023)
Shunzhou Wan, Agastya P. Bhati, Alexander D. Wade, Peter V. Coveney
Ensemble-Based Approaches Ensure Reliability and Reproducibility. J. Chem. Inf. Model. 63 (22) (2023)
Alexander D. Wade, David J. Huggins
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method. J. Chem. Inf. Model. 60 (11) (2020)
Alexander D. Wade, Andrea Rizzi, Yuanqing Wang, David J. Huggins
Computational Fluorine Scanning Using Free-Energy Perturbation. J. Chem. Inf. Model. 59 (6) (2019)
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) (2018)