Mark Mackey

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 4

Top Topics

Molecular Dynamics Simulations

Emergency Department

Top Venues

Journal of chemical information and modeling

Journal of the American Chemical Society

Cresset

University of Cambridge (PHD)

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

Affiliation History

Cresset Jan 01 2002

United Kingdom

Chief Scientific Officer

Education History

University of Cambridge Sep 01 1993 - Jun 01 1997

United Kingdom

PHD :: Chemistry

Publications

Timothy S Chisholm, Mark Mackey, Christopher A Hunter
Discovery of High-Affinity Amyloid Ligands Using a Ligand-Based Virtual Screening Pipeline. Journal of the American Chemical Society (2023)
Joshua T Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A Mitchell, Trevor Gokey, David L Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D Chodera, Jamshed Anwar, David L Mobley, Daniel J Cole
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. Journal of chemical information and modeling 62 (22) (2022)
Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S J S Mey, Mark Mackey, Julien Michel
Assessment of Binding Affinity via Alchemical Free-Energy Calculations. Journal of chemical information and modeling 60 (6) (2020)
Jenke Scheen, Wilson Wu, Antonia S J S Mey, Paolo Tosco, Mark Mackey, Julien Michel
Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies. Journal of chemical information and modeling 60 (11) (2020)