@article{alexov2004calculating,
author = "E. Alexov",
title = "Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein--inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin--pepstatin complexes",
year = 2004,
journal = "Proteins: Structure, Function, and Bioinformatics",
publisher = "Wiley Online Library",
volume = 56,
number = 3,
pages = "572-584"
}