Joshua N. Horn - Research Profile

The focus of my dissertation work has been to characterize the biophysical mechanism by which a class of synthetic compounds known as antimicrobial lipopeptides (AMLPs) disrupt bacterial membranes. I have utilized a combination of coarse-grained and all-atom molecular dynamics to quantify the binding of a specific AMLP, C16-KGGK (shown right), to model membranes. A possible mechanism for membrane perturbation has been theorized that involves the separation of specific lipids in a usually mixed bilayer.

Other peptides and lipopeptides are also of interest, including acylated and non-acylated lactoferricin-b fragments (LFB6), oligo-acyl-lysines (OAKs), and antifungal fengycins.

 

 

In another project, we have explored the bilayer-protein interactions of the photoreceptor rhodopsin. Using robust statistical sampling via coarse-grained simulation, we have uncovered possible cholesterol binding sites, as well as noted a preference for phosphatidylethanolamine (PE) headgroups over phosphatidylcholine (PC) headgroups in one region of the protein surface.

 

 

 

Publications:

  1. Horn, J. N., Romo, T. D., and Grossfield, A., Simulating the mechanism of antimicrobial lipopeptides with all-atom molecular dynamics, Biochemistry, 2013, 52,  5604-5610

  2. Horn, J. N., Kao, T-C, and Grossfield, A., Coarse-grained Molecular Dynamics Provides Insight into the Interactions of Lipids and Cholesterol with Rhodopsin, in G Protein-Coupled Receptor Modeling and Simulation, ed. Marta Filizola, Springer, 2013. (accepted)

  3. Horn, J. N., Sengillo, J. D., Lin, D., Romo, T. D., and Grossfield, A., Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics, Biochimica et Biophysica Acta (BBA) – Biomembranes, Volume 1818, Issue 2, February 2012, 212-218.

 

Email:

joshua_horn[at]urmc.rochester.edu

 

Address:

Department of Biochemistry and Biophysics

University of Rochester, Medical Center, Box 712

Rochester, NY 14642

 

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