✦ LIBER ✦

Conformational energy map for a pair of peptide units using the bond polarisability method

✍ Scribed by K. A. R. Sundaram Srinivasan

Publisher: John Wiley and Sons
Year: 1977
Tongue: English
Weight: 542 KB
Volume: 12
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560120407

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

A method recently developed for the calculation of intramolecular nonbonded interactions based on experimental bond polarisabilities and atomic charges and transition π‐charges obtained from MO calculations has been applied to the alanyl dipeptide. The potential energy contours in the ϕ, ψ plane obtained by this method compare favourably with those derived from the frequency of occurrence of conformations in globular proteins. An analysis of the various components of the nonbonded interaction energy indicates that the fairly frequent occurrence of conformations around ϕ = −80°, ψ=0° is presumably due to a favourable interaction of the π‐polarisation.

📜 SIMILAR VOLUMES

Combined use of spectroscopic and energy

Combined use of spectroscopic and energy calculation methods for the determination of peptide conformation in solution

✍ G.V. Nikiforovich; B.G. Vesterman; J. Betins 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 546 KB

Development of new assembly techniques f

Development of new assembly techniques for a silicon micro-vertex detector unit using the flip-chip bonding method

✍ Y. Saitoh; H. Takeuchi; M. Mandai; H. Kanazawa; J. Yamanaka; S. Miyahara; M. Kam 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 377 KB

4893627 Method for nuclear magnetic reso

4893627 Method for nuclear magnetic resonance imaging using deuterum as a contrast agent : Joseph Kehayias, Darrel Joel, William H Adams, Harry Stein assigned to The United States of America as represented by the United States Department of Energy

📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 101 KB

A method for in vivo NMR imaging of the blood vessels and organs of a patient characterized by using a dark dye-like imaging substance consisting essentially of a stable, high-purity concentration of D20 in a solution with water.