Faculty & Staff Directory
- Research Assistant Professor
PhD, Bioinformatics & Computational Biology, George Mason University (2015)
BS, Biological Sciences, Virginia Tech (2010)
BS, Psychology, Virginia Tech (2010)
Dr. Lockhart uses computational methods to study biomolecules of medical importance. He frequently employs all-atom molecular dynamics simulations with enhanced sampling algorithms to exhaustively explore the conformational ensembles of target systems and compute their thermodynamic properties of interest. In particular, he has focused on uncovering the mechanisms that govern the interactions between intrinsically disordered Alzheimer’s disease Aβ peptides, lipid bilayers, and ligands.
Dr. Lockhart has taught several courses at George Mason University including Computing for Scientists (CDS-130), Modeling and Simulation I (CDS-230), Systems Biology (BINF-701/BIOS-701), and Machine Learning for Bioinformatics (BINF-760).
Lockhart, C., Smith, A. K., & Klimov, D. K. (2020) Three popular force fields predict consensus mechanism of Aβ peptide binding to the DMPC bilayer. J. Chem. Inf. Model. 60(4): 2282-2293, doi:10.1021/acs.jcim.0c00096
Smith, A. K., Lockhart, C., & Klimov, D. K. (2016) Does replica exchange with solute tempering efficiently sample Aβ peptide conformational ensembles? J. Chem. Theory Comput. 12(10): 5201-5214, doi:10.1021/acs.jctc.6b00660
Lockhart, C. & Klimov, D. K. (2014) Alzheimer's Aβ10-40 peptide binds and penetrates DMPC bilayer: an isobaric-isothermal replica exchange molecular dynamics study. J. Phys. Chem. B 118(10): 2638-2648, doi:10.1021/jp412153s
Lockhart, C., Kim, S., & Klimov, D. K. (2012) Explicit solvent molecular dynamics simulations of Aβ peptide interacting with ibuprofen ligands. J. Phys. Chem. B 116(43): 12922-12932, doi:10.1021/jp306208n