We use molecular docking and techniques in molecular dynamics to characterize sugar transport proteins in collaboration with the Drew lab at Stockholm University. We use these techniques to characterize inhibitor binding, examine lipid-protein interactions, and determine the energy landscape of these proteins. Using our computational tools in collaboration with biochemistry experiments, we aim to explore what governs substrate recognition and the subsequent conformational changes these proteins undergo to move sugar across the lipid bilayer.
The molecular basis for sugar import in malaria parasites. AA Qureshi, A Suades, R Matsuoka, J Brock, SE McComas, E Nji, L Orellana, M Claesson, L Delemotte and D Drew. Nature, 578, 321–325
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