The structure, stability, solubility, and function of proteins depend on their net charge and on
the ionization state of the individual residues. Consequently, biochemists are interested in …

The pKa‐cooperative aims to provide a forum for experimental and theoretical researchers
interested in protein pKa values and protein electrostatics in general. The first round of the …

We tabulated 541 measured pK values reported in the literature for the Asp, Glu, His, Cys,
Tyr, and Lys side chains, and the C and N termini of 78 folded proteins. The majority of these …

Ionizable residues play key roles in many biological phenomena including protein folding,
enzyme catalysis and binding. We present PKAD, a database of experimentally measured …

An understanding of molecular interactions is essential for insight into biological systems at
the molecular scale. Among the various components of molecular interactions, electrostatics …

The acid-base behavior of amino acids is an important subject of study due to their
prominent role in enzyme catalysis, substrate binding and protein structure. Due to …

Prior computational studies of the acid‐unfolding behavior of staphylococcal nuclease
(SNase) suggest that the pKa values of its carboxylic groups are difficult to reproduce with …

The pKa values of internal ionizable groups are usually very different from the normal pKa
values of ionizable groups in water. To examine the molecular determinants of pKa values of …

Accurate protein synthesis requires ribosomes to integrate signals from distant functional
sites and execute complex dynamics. Despite advances in understanding ribosome …

Abstract The pKa Cooperative (http://www. pkacoop. org) was organized to advance
development of accurate and useful computational methods for structure‐based calculation …