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Simon J. F. Macdonald
Publication Activity (10 Years)
Years Active: 2009-2020
Publications (10 Years): 1
Top Topics
Databases
Molecular Dynamics
Multi Agent
Top Venues
J. Chem. Inf. Model.
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Publications
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Ellen E. Guest
,
Steven A. Oatley
,
Simon J. F. Macdonald
,
Jonathan D. Hirst
Molecular Simulation of αvβ6 Integrin Inhibitors.
J. Chem. Inf. Model.
60 (11) (2020)
George Papadatos
,
Muhammad Alkarouri
,
Valerie J. Gillet
,
Peter Willett
,
Visakan Kadirkamanathan
,
Christopher N. Luscombe
,
Gianpaolo Bravi
,
Nicola J. Richmond
,
Stephen D. Pickett
,
Jameed Hussain
,
John Pritchard
,
Anthony W. J. Cooper
,
Simon J. F. Macdonald
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.
J. Chem. Inf. Model.
50 (10) (2010)
Timothy J. Ritchie
,
Christopher N. Luscombe
,
Simon J. F. Macdonald
Analysis of the Calculated Physicochemical Properties of Respiratory Drugs: Can We Design for Inhaled Drugs Yet?
J. Chem. Inf. Model.
49 (4) (2009)
George Papadatos
,
Anthony W. J. Cooper
,
Visakan Kadirkamanathan
,
Simon J. F. Macdonald
,
Iain M. McLay
,
Stephen D. Pickett
,
John Pritchard
,
Peter Willett
,
Valerie J. Gillet
Analysis of Neighborhood Behavior in Lead Optimization and Array Design.
J. Chem. Inf. Model.
49 (2) (2009)