Simon J F Macdonald

发表

Active Search for Computer‐aided Drug Design

Roman Garnett, Thomas Gärtner, Dino Oglic, 2018, Molecular informatics.

Passing on the medicinal chemistry baton: training undergraduates to be industry-ready through research projects between the University of Nottingham and GlaxoSmithKline.

Simon J F Macdonald, M Jonathan Fray, Thomas McInally, 2016, Drug discovery today.

An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS.

José María Bueno, Esther Fernández, Simon J F Macdonald, 2011, ACS medicinal chemistry letters.

The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types.

Stephen D Pickett, Simon J F Macdonald, Timothy J Ritchie, 2011, Drug discovery today.

Medicinal chemistry in drug discovery in big pharma: past, present and future.

Simon J F Macdonald, S. Macdonald, P. Procopiou, 2017, Drug discovery today.

Factors determining the selection of organic reactions by medicinal chemists and the use of these reactions in arrays (small focused libraries).

Simon J F Macdonald, S. Macdonald, Tony W. J. Cooper, 2010, Angewandte Chemie.

Cyclopropyl Carboxamides: A New Oral Antimalarial Series Derived from the Tres Cantos Anti-Malarial Set (TCAMS).

Simon J F Macdonald, F. Gamo, Laura M Sanz, 2011, ACS medicinal chemistry letters.

Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.

Frances Potjewyd, Anastassis Perrakis, Simon J F Macdonald, 2017, Journal of medicinal chemistry.

How drug-like are 'ugly' drugs: do drug-likeness metrics predict ADME behaviour in humans?

Simon J F Macdonald, Timothy J Ritchie, T. Ritchie, 2014, Drug discovery today.

Dimeric zanamivir conjugates with various linking groups are potent, long-lasting inhibitors of influenza neuraminidase including H5N1 avian influenza.

Stephanie Hamilton, Rachel Cameron, Simon J F Macdonald, 2005, Journal of medicinal chemistry.