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Conformation of the C-terminus of endothelin-1 in aqueous solution studied by Monte-Carlo simulation

✍ Scribed by Masataka Kuroda; Kazuto Yamazaki; Tooru Taga

Book ID
115929641
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
370 KB
Volume
355
Category
Article
ISSN
0014-5793

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AB INITIO MO AND MONTE CARLO SIMULATION
AB INITIO MO AND MONTE CARLO SIMULATION STUDY ON THE CONFORMATION OF L-ALANINE ZWITTERION IN AQUEOUS SOLUTION
✍ Osamu Kikuchi; Toshio Watanabe; Yasushi Ogawa; Hideto Takase; Ohgi Takahashi πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 190 KB πŸ‘ 2 views

The conformation of the L-alanine zwitterion (ALAZ) in aqueous solution was examined by an ab initio MO method including the solvent effect with the generalized Born (GB) equation. The geometry optimization with the 6-31++G\* basis set gave the (, ) = (80, 8) conformation as the most stable conforma