The individual in this position will study the gating mechanisms of the mechanosensitive Piezo channels using molecular dynamics simulations. The specific project consists of the identification of the molecular mechanisms by which a small molecule agonist opens the Piezo1 channel in the absence of mechanical stimuli. If successful, this work will help design new drugs against human diseases.
Knowledge, Skills and Abilities:
Skills at operating pc or mac data analysis and word processing software, programming using NAMD and CHAMM.
Experience in molecular dynamics simulations (AMBER and/or NAMD and/or CHARMM) and free energy calculations are required. Ph.D. in chemistry, biophysics, computational chemistry, or a related discipline.
Experience in enhanced sampling and protein-ligand binding is preferred.