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Volumn 51, Issue 16, 2010, Pages 2130-2135

The efficiency of proton transfer in Kirby's enzyme model, a computational approach

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CATALYSIS; CATALYST; COMPUTER ANALYSIS; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR MODEL; PROTON TRANSPORT; REACTION ANALYSIS; SYNTHESIS;

EID: 77949489830     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetlet.2010.02.062     Document Type: Article
Times cited : (27)

References (63)
  • 1
    • 77956939611 scopus 로고
    • Boyer P.D. (Ed), Academic Press, New York
    • Hanson K.R., and Havir E.A. In: Boyer P.D. (Ed). The Enzymes. 3rd ed. Vol. 7 (1972), Academic Press, New York 75
    • (1972) The Enzymes. 3rd ed. , vol.7 , pp. 75
    • Hanson, K.R.1    Havir, E.A.2
  • 13
  • 28
    • 28544453067 scopus 로고    scopus 로고
    • and references therein
    • Menger F.M. Pure Appl. Chem. 77 (2005) 1873 and references therein
    • (2005) Pure Appl. Chem. , vol.77 , pp. 1873
    • Menger, F.M.1
  • 48
  • 61
    • 77949488631 scopus 로고    scopus 로고
    • note
    • http://www.gaussian.com. See details of the calculation methods in Supplementary data.
  • 62
    • 77949492494 scopus 로고    scopus 로고
    • note
    • Energy of 5 kcal/mol was needed to rotate the carboxyl group such that the attack angle increases from 48° to 88°.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.