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Volumn 39, Issue 15, 2000, Pages 2784-2786

Fast photoisomerization of a rhodopsin model - An ab initio molecular dynamics study

Author keywords

Ab initio calculations; Molecular dynamics; Retinal

Indexed keywords

11 CIS RETINAL; RHODOPSIN; SCHIFF BASE;

EID: 0039000044     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3773(20000804)39:15<2784::AID-ANIE2784>3.0.CO;2-O     Document Type: Article
Times cited : (26)

References (36)
  • 5
    • 0001909239 scopus 로고
    • For a summary, see B. Honig, A. Warshel, M. Karplus, Acc. Chem. Res. 1975, 8, 92; see also B. Honig, P. Kahn, T. G. Ebrey, Biochemistry 1973, 12, 1637.
    • (1975) Acc. Chem. Res. , vol.8 , pp. 92
    • Honig, B.1    Warshel, A.2    Karplus, M.3
  • 6
    • 0015919624 scopus 로고
    • For a summary, see B. Honig, A. Warshel, M. Karplus, Acc. Chem. Res. 1975, 8, 92; see also B. Honig, P. Kahn, T. G. Ebrey, Biochemistry 1973, 12, 1637.
    • (1973) Biochemistry , vol.12 , pp. 1637
  • 19
    • 0343220661 scopus 로고    scopus 로고
    • note
    • The chromophore is not perfectly planar, because the geometry of 11-cis-retinal PSB was reoptimized hy the same molecular dynamics procedure used later for relaxing the bent structure. The reoptimized geometry showed dihedral angles differing from 0 or from 180 by less than 2 , except for the C10-C11 bond (2.0 ) and the C15-N bond (3.2 ).
  • 21
    • 0342351187 scopus 로고    scopus 로고
    • note
    • Note that these results, including the 200 fs time reference, relate to ground-state structural optimization and not to the excited state dynamics of the molecule!.
  • 24
    • 0001313251 scopus 로고    scopus 로고
    • V. Buss, K. Kolster, F. Terstegen, R. Vahrenhorst, Angew. Chem. 1998, 110, 1997; Angew. Chem. Int. Ed. 1998, 37, 1893. For a differing viewpoint, see Q. Tan, J. Lou, B. Borhan, E. Karnaukhova, N. Berova, K. Nakanishi, Angew. Chem. 1997, 109, 2190: Angew. Chem. Int. Ed. 1997, 36, 2089.
    • (1998) Angew. Chem. , vol.110 , pp. 1997
    • Buss, V.1    Kolster, K.2    Terstegen, F.3    Vahrenhorst, R.4
  • 25
    • 0344972891 scopus 로고    scopus 로고
    • V. Buss, K. Kolster, F. Terstegen, R. Vahrenhorst, Angew. Chem. 1998, 110, 1997; Angew. Chem. Int. Ed. 1998, 37, 1893. For a differing viewpoint, see Q. Tan, J. Lou, B. Borhan, E. Karnaukhova, N. Berova, K. Nakanishi, Angew. Chem. 1997, 109, 2190: Angew. Chem. Int. Ed. 1997, 36, 2089.
    • (1998) Angew. Chem. Int. Ed. , vol.37 , pp. 1893
  • 26
    • 0000601327 scopus 로고    scopus 로고
    • V. Buss, K. Kolster, F. Terstegen, R. Vahrenhorst, Angew. Chem. 1998, 110, 1997; Angew. Chem. Int. Ed. 1998, 37, 1893. For a differing viewpoint, see Q. Tan, J. Lou, B. Borhan, E. Karnaukhova, N. Berova, K. Nakanishi, Angew. Chem. 1997, 109, 2190: Angew. Chem. Int. Ed. 1997, 36, 2089.
    • (1997) Angew. Chem. , vol.109 , pp. 2190
    • Tan, Q.1    Lou, J.2    Borhan, B.3    Karnaukhova, E.4    Berova, N.5    Nakanishi, K.6
  • 27
    • 0030810079 scopus 로고    scopus 로고
    • V. Buss, K. Kolster, F. Terstegen, R. Vahrenhorst, Angew. Chem. 1998, 110, 1997; Angew. Chem. Int. Ed. 1998, 37, 1893. For a differing viewpoint, see Q. Tan, J. Lou, B. Borhan, E. Karnaukhova, N. Berova, K. Nakanishi, Angew. Chem. 1997, 109, 2190: Angew. Chem. Int. Ed. 1997, 36, 2089.
    • (1997) Angew. Chem. Int. Ed. , vol.36 , pp. 2089


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.