𝔖 Bobbio Scriptorium
✦   LIBER   ✦

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

✍ Scribed by G.V. Nikiforovich; B.G. Vesterman; J. Betins


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
546 KB
Volume
31
Category
Article
ISSN
0301-4622

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Calculation of solvation free energy usi
✍ Kinoshita, Masahiro; Okamoto, Yuko; Hirata, Fumio πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 252 KB πŸ‘ 1 views

We developed a robust, highly efficient algorithm for solving the Ε½ . full reference interaction site model RISM equations for salt solutions near a solute molecule with many atomic sites. It was obtained as an extension of our previously reported algorithm for pure water near the solute molecule. T

Molecular conformations of dibucaine in
✍ Mufeed Basti; Laurine A. LaPlanche; Garret Vanderkooi πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 688 KB

Proton lanthanide-induced shifts (LIS) were measured for Yb(fod),-dibucaine complexes in CDCl, solution. The data were used in conjunction with empirical energy calculations to determine the preferred conformations of dibucaine. The energy calculations and the LIS analysis were in agreement in showi

Conformational energy map for a pair of
✍ K. A. R. Sundaram Srinivasan πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 542 KB

## 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 Ο•

Combined use of NMR and molecular modell
✍ T. Stockner; C. Plugariu; H. Sterk πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 237 KB πŸ‘ 2 views

The N-terminal headpiece, MAKVQAYVSDEIVYKINKIVER, of the TraM protein exists in two distinct conformers in a waterÈSDS mixture. 1H NMR investigations and X-PLOR calculations revealed that one of the conformers has a helical structure whereas in the other conformer the helical structure is bent at E-

Pitfalls in the use of the torsion angle
✍ Ulrich Burkert; Norman L. Allinger πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 586 KB

## Abstract Several deficiencies and potential sources of error in the torsion angle driving method, the approach employed most frequently for the simulation of conformational interconversions, have been studied. A general explanation of the observed effects is given in terms of the energy surface