id author title date pages extension mime words sentence flesch summary cache txt 4b29b56620r Carrie S Miller Carbon-Deuterium Vibrational Probes of Gas- and Condensed-Phase Amino Acid Structure and Protonation State 2010 .txt text/plain 584 21 31 The protonation state of titratable amino acid residues has profound effects on protein stability and function. Histidine is a particularly important contributor to protein stability and function because its side chain pKa is near physiological pH. The sensitivity of C-D vibrational frequencies to the protonation state of histidine dipeptide (Hdp) was investigated in aqueous solution using two-layered integrated molecular orbital and molecular mechanics (ONIOM) calculations. cache/4b29b56620r.txt txt/4b29b56620r.txt