Alexander D Wade

Publication Activity (10 Years)

Years Active: 2019-2021
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Capillary Electrophoresis

Plasmodium Falciparum

Protein Protein

Top Venues

Journal of chemical information and modeling

Molecular systems design & engineering

Journal of medicinal chemistry

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Edwin G Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Gareth J Conduit, Mykola Galushka, Davy Guan, Irene Hallyburton, Benedict W J Irwin, Kiaran Kirk, Adele M Lehane, Julia C R Lindblom, Raymond Lui, Slade Matthews, James McCulloch, Alice Motion, Ho-Leung Ng, Mario Öeren, Murray N Robertson, Vito Spadavecchio, Vasileios A Tatsis, Willem P van Hoorn, Alexander D Wade, Thomas M Whitehead, Paul Willis, Matthew H Todd
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials. Journal of medicinal chemistry 64 (22) (2021)
Shunzhou Wan, Agastya P Bhati, Alexander D Wade, Dario Alfè, Peter V Coveney
Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease. Molecular systems design & engineering 7 (2) (2021)
Alexander D Wade, David J Huggins
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method. Journal of chemical information and modeling 60 (11) (2020)
Alexander D Wade, Andrea Rizzi, Yuanqing Wang, David J Huggins
Computational Fluorine Scanning Using Free-Energy Perturbation. Journal of chemical information and modeling 59 (6) (2019)
Alexander D Wade, David J Huggins
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method. Journal of chemical theory and computation 15 (11) (2019)