Electrostatic Contribution of Surface Charge Residues to the Stability of a Thermophilic Protein: Benchmarking Experimental and Predicted pKa Values

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Web servers and services for electrostatics calculations with APBS and PDB2PQR

(2011) Samir Unni et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Protonation/deprotonation effects on the stability of the Trp-cage miniprotein

(2011) Camilo A. Jimenez-Cruz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stabilizing Salt-Bridge Enhances Protein Thermostability by Reducing the Heat Capacity Change of Unfolding

(2011) Chi-Ho Chan et al.   PLoS One

Calculation of pKa in proteins with the microenvironment modulated-screened coulomb potential

(2011) Jufang Shan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

MCCE analysis of the pKas of introduced buried acids and bases in staphylococcal nuclease

(2011) M. R. Gunner et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Is the prediction of pKa values by constant-pH molecular dynamics being hindered by inherited problems?

(2011) Miguel Machuqueiro et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Rational stabilization of enzymes by computational redesign of surface charge–charge interactions

(2009) Alexey V. Gribenko et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Increasing protein stability by improving beta-turns

(2009) Hailong Fu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Determination of Electrostatic Interaction Energies and Protonation State Populations in Enzyme Active Sites

(2007) Chresten R. Søndergaard et al.   JOURNAL OF MOLECULAR BIOLOGY