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 defense against microbial infection. However, their mechanism of action is not well understood. There is broad consensus that they attack the bacterial membrane, but no reliable method is available for predicting the efficacy of a given peptide. This work aims to understand how peptides stabilize pores in biological membranes, 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 the growth of microbial resistance to currently used antibiotics.
|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|
|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 studies of peptide-induced membrane pore formation. Philos Trans R Soc Lond B Biol Sci 372:|
|Lazaridis, Themis; Hummer, Gerhard (2017) Classical Molecular Dynamics with Mobile Protons. J Chem Inf Model 57:2833-2845|