7/4, LSBM Seminar, Prof. Ben Corry, Using molecular simulation to understand membrane channels and transporters

Title: Using molecular simulation to understand membrane channels and transporters

Presenter: Ben Corry

Affiliation: Professor. Group Leader. Corry Lab. (computational biophysics research) Australian National University.



Date: July 4th, 2024

Place: RCAST 4th Bldg. 2F Hall.



Membrane proteins are the gatekeepers of cells that rely on intricate conformational changes to move substrates or transmit signals across the membrane. This talk will introduce the use of molecular dynamics simulations to understand the structure and function of proteins. I will then describe two recent examples from our lab where molecular simulations have been used to complement structural and functional experiments in order to understand the function of these different classes of membrane protein. Examples will include
(i) the mechanically gated OSCA channels for which we show that membrane lipids form part of the wall of the ion permeation pathway;
(ii) the malaria parasites formate-nitrite transporter pfFNT that utilises a proton-transfer mechanism that challenges the standard definitions of channels and transporters.
(iii) predicting lipid binding sites on membrane proteins using simulation; and
(iv) explaining the trade-off between drug resistance and natural promiscuous peptide transport in the malaria parasites chloroquine resistance transporter pfCRT