Computational analysis of unfolding and folding pathways of proteins from amide proton exchange

The exchange rate of amide proton is dependent on primary sequence of amino acids, pH and temperature. A novel computational program has been developed to predict the exchange rates of amide protons in a protein and their relationship with unfolding and folding has been analyzed. The structure -function relationship of proteins can be well probed at atomic level resolution using Hydrogen deuterium exchange methods.