𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical pKa calculations of proteins; the tyrosine and lysine residues of b-elicitin

✍ Scribed by Hans J. Vogel; André H. Juffer

Book ID
105887194
Publisher
Springer
Year
1999
Tongue
English
Weight
197 KB
Volume
101
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Linear-scaling molecular orbital calcula
Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins
✍ Kazuki Ohno; Minoru Sakurai 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 132 KB 👁 1 views

## Abstract In this report, we present a computational methodology for the pKa prediction of proteins, based on linear‐scaling molecular orbital calculations for their solution‐conformations obtained from NMR measurements. The method is used to predict the pKa values of five carboxylic acids (Asp7,

Comparison of electrostatic- and hydroph
Comparison of electrostatic- and hydrophobic-induced pKa shifts in polypentapeptides. The lysine residue
✍ Dan.W. Urry; Shaoqing Peng; D.Channe Gowda; Timothy M. Parker; R.Dean Harris 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 657 KB

Acid-base titrations at 37°C determined the PK. values in water and saline of twelve synthesized polypentapeptides, polycfv(GVGIP),fn(GKGIP) ), where&+&= 1 with& ranging from 1 to 0.06 and where K is the lysine (NH: /NH,) residue. In water the p& was 9.60 nearfx=0.9 decreasing to 9.20 at&= 1 and to