Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations

Bernd Kuhn, Peter A. Kollman, Martin Stahl. Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations. Journal of Computational Chemistry, 25(15):1865-1872, 2004. [doi]

Authors

Bernd Kuhn

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Peter A. Kollman

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Martin Stahl

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