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2020 – today
- 2020
[j4]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): 5487-5498 (2020)
2010 – 2019
- 2010
- [j3]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): 1872-1886 (2010)
2000 – 2009
- 2009
- [j2]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): 195-208 (2009) - [j1]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): 1025-1032 (2009)
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