• 2005-2012. Ph.D. (Biochemistry), University of Toronto. Advisor: Regis Pomes.
• 1996-2001. B.Sc. (Biology), Honours, University of Waterloo.
• Employment:
  • 2016-present. Director's Postdoctoral Fellow, Los Alamos National Laboratory, Center for Nonlinear Studies. Advisor: Angel E. Garcia.
  • 2015-present. Postdoctoral Researcher, Los Alamos National Laboratory, Center for Nonlinear Studies. Advisor: Angel E. Garcia.
  • 2013-2015. Postdoctoral Researcher, Rensselaer Polytechnic Institute. Advisor: Angel E. Garcia.
  • 2012. Postdoctoral Researcher, McMaster University. Advisor: Russell Bishop.
  • 2004-2005. Computer Programmer, Hospital for Sick Children. Advisor: Julie Forman-Kay.
  • 2003. Lab Technician, Dalhousie University. Advisor: George Robertson.
  • 2002. Lab Technician, Ontario Cancer Institute. Advisor: Robert Rottapel.
  • 1999, 2000. Cooperative Education placement, AstraZeneca Pharmaceuticals. Advisor: Jack Cao.

Research Interests:

• Computational drug design, especially in relation to personalized medicine.
• Structure-dynamics-function relationships in membrane proteins.
• Mechanisms of allosteric signal transduction.
• Developing new techniques for simulating longer, more biochemically relevant timescales.

Selected Recent Publications:

1. L. Ye, C. Neale, A. Sljoka, B. Lyda, D. Pichugin, N. Tsuchimura, S.T. Larda, R. Pomes, A.E. Garcia, O.P. Ernst, R.K. Sunahara, R.S. Prosser, Mechanistic Insights into Allosteric Regulation of the A2A Adenosine G-Protein-Coupled Receptor by Physiological Cations, Nature Communications 9, 1372 (2018).
2. C. Neale, R. Pomes ,Sampling errors in free energy simulations of small molecules in lipid bilayers, BBA Biomembranes 1858(10), 2539-2548 (2016).
3. C. Neale, R. Pomes, A.E. Garcia­aPeptide bond isomerization in high-temperature simulations, J. Chem. Theory Comput. 12(4), 1989-1999 (2016).
4. C. Neale, H.D. Herce, R. Pomes, A.E. Garcia, Can specific protein-lipid interactions stabilize an active state of the beta 2 adrenergic receptor?, Biophys. J. 109(8), 1652-1662 (2015).
5. C. Neale, K. Huang, A.E. Garcia, S. Tristram-Nagle, Penetration of HIV-1 Tat47-57 into PC/PE bilayers assessed by MD simulation and X-ray scattering, Membranes 5(3), 473-494 (2015).
6. C. Neale, N. Chakrabarti, P. Pomorski, E.F. Pai, R. Pomes, Hydrophobic gating of ion permeation in magnesium channel CorA", PLoS Comput. Biol., PLoS Comput. Biol. 11(7), e1004303 (2015).
7. C. Neale, J.C.Y. Hsu, C.M. Yip, R. Pomes, Indolicidin binding induces thinning of a lipid bilayer, Biophys. J. 106(8), L29-L31 (2014).
8. C. Neale, C. Madill, S. Rauscher, R. Pomes, Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal, . Chem. Theory Comput. 9(8), 3686-3703 (2013).
9. C. Neale, H. Ghanei, J. Holyoake, R.E. Bishop, G.G. Prive, R. Pomes, Detergent-mediated protein aggregation, Chem. Phys. Lipids 169, 72-84 (2013).
10. M. Krzeminski, J.A. Marsh, C. Neale, W-Y. Choy, J.D. Forman-Kay, Characterization of disordered proteins with ENSEMBLE, Bioinformatics 29(3), 398-399 (2013).
11. L. Huynh, C. Neale, R. Pomes, C. Allen, Computational approaches to the rational design of nanoemulsions, polymeric micelles, and dendrimers for drug delivery, Nanomed.-Nanotechnol. 8(1), 20-36 (2012).
12. C. Neale, W.F.D. Bennett, D.P. Tieleman, R. Pomes, Statistical convergence of equilibrium properties in simulations of molecular solutes embedded in lipid bilayers, J. Chem. Theory Comput. 7(12), 4175-4188.
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