Monte carlo study on the system of aqueous amino acid solution = 아미노산 분자의 수화에 관한 이론적 연구

Monte Carlo computer simulation on the system of aqueous solution with several amino acids such as $Ala^\pm$, $Ser^\pm$ and $Asp^\pm$ are carried out. Each system is composed of a cluster of 125 waters and an amino acid zwitter ion at 298 K. Detailed simulation conditions make good use of a standard metropolis algorithm under canonical ensemble(N.V.T). We try to put an amino acid in a previously equilibrated ensemble of water molecules and then analyze the energy distribution, radial distribution functions and four, five six and seven membered ring structures connected by hydrogen bond of water surrounding each amino acid. The six-membered ring is predominant in polar amino acid solution, whereas the five-membered ring in apolar amino acid solution.
Advisors
Jhon, Mu-Shikresearcher전무식researcher
Publisher
한국과학기술원
Issue Date
1990
Identifier
67618/325007 / 000891112
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 화학과, 1990, [ v, 45 p. ]

URI
http://hdl.handle.net/10203/32590
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=67618&flag=t
Appears in Collection
CH-Theses_Master(석사논문)
Files in This Item
There are no files associated with this item.
  • Hit : 196
  • Download : 0
  • Cited 0 times in thomson ci

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0