𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Estimation on the intramolecular hydrogen-bonding energies in proteins and peptides by the analytic potential energy function

✍ Scribed by Chang-Liang Sun; Chang-Sheng Wang

Book ID
118501527
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
580 KB
Volume
956
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An analytic potential energy function fo
An analytic potential energy function for the amide–amide and amide–water intermolecular hydrogen bonds in peptides
✍ Chang-Liang Sun; Xiao-Nan Jiang; Chang-Sheng Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 511 KB

## Abstract An analytic potential energy function is proposed and applied to evaluate the amide–amide and amide–water hydrogen‐bonding interaction energies in peptides. The parameters in the analytic function are derived from fitting to the potential energy curves of 10 hydrogen‐bonded training dim

Estimation on the intramolecular 10-memb
Estimation on the intramolecular 10-membered ring NH···OC hydrogen-bonding energies in glycine and alanine peptides
✍ Yan Zhang; Chang-Sheng Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 554 KB

## Abstract Computation of accurate intramolecular hydrogen‐bonding energies for peptides is of great importance in understanding the conformational stabilities of peptides and developing a more accurate force field for proteins. We have proposed a method to determine the intramolecular seven‐membe

Molecular orbital theory of the hydrogen
Molecular orbital theory of the hydrogen bond. The effect of intramolecular hydrogen bonding on n orbital energies and n → π* transition energies in β-hydroxyacrolein
✍ Janet E. Del Bene 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 332 KB

Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn