Dave Winkler


Date of Birth:
26th February, 1952

B Sc (Hons I) (Chemistry) Monash University 1976; B.App. Sci. (distinction) (Physics), RMIT; PhD (Chemical Physics) Monash University 1980

Awards and Distinctions:
Commonwealth University Scholarship; Victorian Government Science Cadetship; Commonwealth Postgraduate Research Award; General Motors Holden Postgraduate Fellowship; AAS/JSPS Fellowship (Kyoto); AAS/Academia Sinica Fellowship (Beijing); CSIRO/Academia Sinica Travelling Fellowship; DISR Fellowship (Oxford); CSIRO Medal for Business Excellence; One-CSIRO Award

Current Professional Activities:
Fellow, Royal Australian Chemical Institute; CSIRO and RACI representative in PACIA; Director, UNESCO/FACS Project, MedChem; Chairman, Royal Australian Chemical Institute Board; Director, Caulfield and Malvern Grammar Schools Boards; Director, International QSAR & Modelling Society Board; Chemical Structure Association Trustee; Australian representative, Asian Federation for Medicinal Chemistry Executive.

Current Position:
Senior Principal Research Scientist, CSIRO Molecular and Health Technologies
Adjunct Professor, Monash University

Previous Appointments:
1980 Tutor, Victorian College of Pharmacy
1983 NHMRC Senior Research Fellow, Victorian College of Pharmacy
1983 Senior Research Scientist, Defence Research Centre, Salisbury
1985 Senior Research Scientist, CSIRO Division of Applied Organic Chemistry
1993 Principal Research Scientist, CSIRO Division of Chemicals and Polymers

~130 research papers and 160 communications

Selected Publications:

  • Design of Potential Anti-HIV Agents. 1. Mannosidase Inhibitors, Winkler, D.A., Holan, G., J. Med. Chem., 32, 2084-89 (1989).
  • QSAR and Rational Design of Insecticides, Winkler, D.A.; Holan, G. in CRC Monograph, ‘Rational Approaches to Structure, Activity and Ecotoxicology of Agrochemicals’, Fujita, T. and Draber, W. (Eds) 1992, pp 123-145.
  • QSAR And Neural Networks In Life Sciences, Winkler, D.A., Madellena, D.J., in Computational Medicine, Public Health, and Biotechnology, World Scientific Publishing 1996
  • Application of DFT and EMS to Strained Organic Molecules, W. Adcock, M. J. Brunger, C. I. Clark, I. E., McCarthy, W. von Niessen, and D. A. Winkler, Aust. J. Phys. 51, 707-28 (1998).
  • The Computer Simulation of High Throughput Screening of Bioactive Molecules, F.R. Burden, D.A. Winkler, in Molecular Modelling and Prediction of Bioactivity (K. Gundertofte and F.S. Jorgensen eds), Plenum Press 1998.
  • Robust QSAR Models Using Bayesian Regularised Artificial Neural Networks, Burden, F.R. and Winkler, D.A. J. Med. Chem., 1999; 42(16); 3183-3187 (1999).
  • The Use of Automatic Relevance Determination in QSAR Studies using Bayesian Neural Nets, Burden, F.R.; Ford, M.; Winkler, D.A. J. Chem. Inf. Comput. Sci. 40(6), 1423-1430 (2000).
  • Structure-Based Design of Inhibitors of the Rice Blast Fungal Enzyme Trihydroxynaphthalene Reductase (3HNR) Jordan, D.; Basarab, G.; Liao, D.-I.; Johnson, W.M.P.; Winzenberg, K.N.; Winkler, D.A. J. Mol. Graphics Modelling, 19, 434-447 (2001).
  • Application of Neural Networks to Large Dataset QSAR, Virtual Screening & Library Design, Winkler, DA, Burden, FR in “Combinatorial Chemistry Methods and Protocols”, Bellavance, L (Ed.), Humana Press 2001.
  • Comparison of Linear & Nonlinear Classification Algorithms: Prediction of drug metabolism by UDP-glucuronosyltransferase Isoforms, Sorich, MJ, McKinnon, RA, Winkler, DA, Burden, FR, Miners, JO, J. Chem. Inf. Comput. Sci. 43, 2019-2024 (2003).
  • Prediction of chemical glucuronidation using QM descriptors derived with EEM, Sorich, MJ, Miners, JO, McKinnon, RA, Winkler, DA, J. Med. Chem. 47(21); 5311-5317 (2004).
  • Modelling Blood Brain Barrier Partitioning using Bayesian Neural Nets, Winkler DA, Burden, FR, J. Mol. Graph. Model. 22, 499- 508 (2004).
  • Broad-based QSAR of Farnesyltransferase Inhibitors using a Bayesian Regularised Neural Network. MJ. Polley, DA. Winkler and F R. Burden, J. Med. Chem. 47 (25), 6230 -6238 (2004).
  • Neural Networks in ADME and Toxicity Prediction, Winkler, DA, invited review, Drugs of the Future, 29, 1043-1057 (2004).
  • Predictive Bayesian Neural Network Models of MHC Class II Peptide Binding, Winkler, DA, Burden, FR, J. Mol. Graph. Mod. 23 481-489 (2005).
  • The X-ray Structure of a Hemipteran Ecdysone Receptor Ligand-binding Domain. Comparison With A Lepidopteran Ecdysone Receptor Ligand-Binding Domain and Implications For Insecticide Design, Carmichael, JA, Lawrence, MC, Graham, LD, Pilling, PA, Epa, VC, Noyce, L, Lovrecz, G, Winkler, DA , Pawlak-Skrzecz, A, Eaton, RE, Hannan, GN, and Hill, R.J., J. Biol. Chem. 280, 22258–22269 (2005).
  • Sparse Modelling of Complex Systems, Winkler, DA, Burden, FR, in QSAR and Molecular Modelling in Rational Design of Bioactive Molecules, E. Sener, I Yalcin (Eds.) Baskent Klise ve Matbaacilik Press Ankara, 2005