Publications by Connor D Pauplis

Publications by authors named "Connor D Pauplis"

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PKA17-A Coarse-Grain Grid-Based Methodology and Web-Based Software for Predicting Protein pK Shifts.

John P Cvitkovic Connor D Pauplis George A Kaminski

J Comput Chem

July 2019

We have developed and tested PKA17, a coarse-grain grid-based model for predicting protein pK shifts. Our pK predictor is currently deployed via a website interface. We have carried out parameter fitting using 442 Asp, Glu, His, Lys, and Arg residues for which experimental results are available in the literature.

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