Publications by authors named "Mark D Mackey"

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Active Learning FEP Using 3D-QSAR for Prioritizing Bioisosteres in Medicinal Chemistry.
Venkata K Ramaswamy, Matthew Habgood, Mark D Mackey

ACS Med Chem Lett· June 2025

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Electrostatic Complementarity as a Fast and Effective Tool to Optimize Binding and Selectivity of Protein-Ligand Complexes.
Matthias R Bauer, Mark D Mackey

J Med Chem· March 2019

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High content pharmacophores from molecular fields: a biologically relevant method for comparing and understanding ligands.
Timothy J Cheeseright, Mark D Mackey, Robert A Scoffin

Curr Comput Aided Drug Des· September 2011

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Better than random? The chemotype enrichment problem.
Mark D Mackey, James L Melville

J Chem Inf Model· May 2009

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FieldScreen: virtual screening using molecular fields. Application to the DUD data set.
Timothy J Cheeseright, Mark D Mackey, James L Melville, Jeremy G Vinter

J Chem Inf Model· November 2008

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