Caitlin Davis
- cmarlat@emory.edu, (404)727-6610
- Group Member Since 2010
- B.S., University of Michigan, 2007
Current Research
I am interested in how computational analysis and experimental techniques can be combined to solve biophysical problems. The objective of my work is to characterize the dynamics and mechanism of folding exhibited by β-sheet proteins. This will be accomplished by a combination of time resolved spectroscopic methods and theoretical analysis. Such an approach will leverage the ability of simulations to capture fine details in order to enhance the global picture provided by time resolved spectroscopic methods.
Presently, the folding of β-sheet proteins is not well understood. There are many characteristic β-sheet topologies including the β-barrel, Greek key motif, β-propeller, β-trefoil and β-helix. The simplest β-sheet structural motif is the β-hairpin, a loop, which acts as a linker between β-sheets in larger β-sheet topologies. Understanding the folding of the β-hairpin is a crucial step in studying how β-rich proteins fold.
My research focus has been to characterize the folding dynamics of increasingly large systems starting from the β-hairpin. The methods we have developed to study short β-hairpins can be applied to more complex β-systems. Further combined theoretical and time resolved studies of proteins will increase our understanding of protein folding and of how experiment and computation can be used to complement each other.
Recent Publications and Presentations
- Davis, C.M. and Dyer, R. B. "Heterogeneity in Fast Folding β-Proteins", presented by invitation at the first Emory STEM Research and Career Symposium, April 3-5 2013, in Atlanta, GA, USA.
- Davis, C.M., Kindt, J. and Dyer, R. B. "Dynamics and Mechanism of Membrane-Induced Folding of a Small Beta-Hairpin", poster presentation at the 57th Annual Meeting of the Biophysical Society, February 2-6 2013, in Philadelphia, PN, USA.
- Davis, C.M. and Dyer, R. B. "Heterogeneity in Fast Folding β-Proteins", oral presentation at the 2012 Southeastern Regional Meeting of the American Chemical Society, November 14-17 2012, in Raleigh, NC, USA.
- Davis, C.M.; Xiao, S.; Raleigh, D.P.; Dyer, R. B., “Raising the speed limit for β-hairpin formation,” J. Am. Chem. Soc. 2012, 134 (35), 14476-14482. DOI: 10.1021/ja3046734 PMC3443077
- Davis, C.M., Raleigh, D.P. and Dyer, R. B. “Heterogeneity in the Folding Kinetics of a 10-Residue Hairpin”, poster presentation at the 2012 Protein Folding Dynamics Gordon Research Conference and Seminar, January 7-13 2012, in Ventura, CA, USA.
- Davis, C.M., Raleigh, D.P. and Dyer, R. B. “The Mechanism of CLN025 Beta Hairpin Formation”, poster presentation at the 2010 Vibrational Spectroscopy Gordon Research Conference, August 1-6 2010, in Biddeford, ME, USA.
- Davis, C.M., Simmerling C.L. and Dyer, R.B. “The Role of Terminal Residues in Beta Hairpin Formation of Chignolin and CLN025”, poster presentation at the Summer School in Biophysics at UT/ORNL: Computational and Experimental Challenges, July 7-10 2010, in Knoxville, TN, USA
