A molecular dynamics study of the ion selectivity and conductanace of Neisserial PorB March 2012 Jan
نویسندگان
چکیده
A new atomic structure of the PorB porin in Neisseria meningitidis, the causative agent of meningitis, has recently been resolved. The aim of the project was to simulate the porin’s ionic selectivity and conductance using various Molecular Dynamics approaches including: electrophysiology to measure the ionic flux through the channel by maintaining a transmembrane electric potential, due to an ionic imbalance; as well as equilibrium simulations to determine the potential-of-mean-force (PMF) landscapes for ceasium cations and evaluate suggested locations of binding sites.
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