Mark Mackey

Publication Activity (10 Years)

Years Active: 2014-2022
Publications (10 Years): 3

Top Topics

Active Contours

Posterior Distribution

Belief Propagation

Top Venues

J. Chem. Inf. Model.

Publications

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. J. Chem. Inf. Model. 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. J. Chem. Inf. Model. 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. J. Chem. Inf. Model. 60 (11) (2020)
Simon Krige, Mark Mackey, Simon McIntosh-Smith, Richard B. Sessions
Porting a commercial application to OpenCL: a case study. IWOCL (2014)