of the computational resources is very good and it even includes a letter specifically mentioning the level of compute power the PI will receive. Weaknesses * None. Protections for Human Subjects: Not Applicable (No Human Subjects) Vertebrate Animals: Not Applicable (No Vertebrate Animals) Biohazards: Not Applicable (No Biohazards) Resource Sharing Plans: Acceptable Budget and Period of Support: Recommend as Requested
Antimicrobial peptides are naturally produced by a wide range of organisms; including humans; as defenseagainst microbial infection. However; their mechanism of action is not well understood. There is broadconsensus that they attack the bacterial membrane; but no reliable method is available for predicting theefficacy of a given peptide. This work aims to understand how peptides stabilize pores in biologicalmembranes; using a combination of theoretical methods guided and tested by experimental measurements.Success in this effort could open the door to the design of novel antibiotics; which are sorely needed given thegrowth of microbial resistance to currently used antibiotics.
|Pino-Angeles, Almudena; Lazaridis, Themis (2018) Effects of Peptide Charge, Orientation, and Concentration on Melittin Transmembrane Pores. Biophys J 114:2865-2874|
|Lipkin, Richard; Lazaridis, Themis (2017) Computational studies of peptide-induced membrane pore formation. Philos Trans R Soc Lond B Biol Sci 372:|
|Lipkin, Richard; Pino-Angeles, Almudena; Lazaridis, Themis (2017) Transmembrane Pore Structures of ?-Hairpin Antimicrobial Peptides by All-Atom Simulations. J Phys Chem B 121:9126-9140|
|Lipkin, Richard; Lazaridis, Themis (2017) Computational prediction of the optimal oligomeric state for membrane-inserted ?-barrels of protegrin-1 and related mutants. J Pept Sci 23:334-345|
|Lazaridis, Themis; Hummer, Gerhard (2017) Classical Molecular Dynamics with Mobile Protons. J Chem Inf Model 57:2833-2845|