Proceedings of the Korean Biophysical Society Conference (한국생물물리학회:학술대회논문집)
- 2003.06a
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- Pages.73-73
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- 2003
Conformational Preference of Alanine Dipeptide in the Gas Phase and in Solutions
- Kim, Daeyou (Department of Genetic Engineering, Youngdong University) ;
- Kang, Young-Kee (Department of Chemistry, Chungbuk National University)
- Published : 2003.06.01
Abstract
We report here the results on N-acetyl-N'-methylamide of alanine (Ac-Ala-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level with the 6-3l+G(d) basis set to investigate the conformational preference of alanine depending on the backbone torsion angles
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