The nature of trypsin-pancreatic trypsin inhibitor binding: free energy calculation of Tyr39-->Phe39 mutation in trypsin.

Abstract

The main goal of this work is the detailed study of the binding interactions in the trypsin-pancreatic trypsin inhibitor (PTI) complex and, here, we present how meaningful the Tyr39-Ile19 interaction is to the stability of that particular complex using free energy methods. This knowledge should be very important in the design of new inhibitors for trypsin… (More)

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Cite this paper

@article{Melo1997TheNO, title={The nature of trypsin-pancreatic trypsin inhibitor binding: free energy calculation of Tyr39-->Phe39 mutation in trypsin.}, author={A. Melo and M. J. Ramos}, journal={The journal of peptide research : official journal of the American Peptide Society}, year={1997}, volume={50 5}, pages={382-7} }