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Volumn 105, Issue 24, 2001, Pages 5797-5803

Ab initio molecular dynamics of the green fluorescent protein (GFP) chromophore: An insight into the photoinduced dynamics of green fluorescent proteins

Author keywords

[No Author keywords available]

Indexed keywords

GREEN FLUORESCENT PROTEINS (GFP);

EID: 0035928131     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010052q     Document Type: Article
Times cited : (56)

References (41)
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    • Voityuk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. 1998, 231, 13. Voityuk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. Lett. 1997, 272, 162. Voityk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. Lett. 1997, 296, 269.
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    • Voityuk, A.A.1    Michel-Beyerle, M.E.2    Rösh, N.3
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    • 0000789942 scopus 로고    scopus 로고
    • Voityuk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. 1998, 231, 13. Voityuk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. Lett. 1997, 272, 162. Voityk, A.A.; Michel-Beyerle, M.E.; Rösh, N. Chem. Phys. Lett. 1997, 296, 269.
    • (1997) Chem. Phys. Lett. , vol.296 , pp. 269
    • Voityk, A.A.1    Michel-Beyerle, M.E.2    Rösh, N.3
  • 14
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    • In press
    • During the submission of this paper, a referee brought to our attention the following related paper: Langhoff et al. Chromophore Charge States and the Proton Shuttle Mechanism in Green Fluorescent Protein: Inferences Drawn from Ab initio Theoretical Studies of Structures and Infrared Absorption Spectra. J. Phys. Chem. B 2001. In press.
    • (2001) J. Phys. Chem. B
  • 32
    • 0011389762 scopus 로고    scopus 로고
    • note
    • Energy differences of 0.05 eV are usually considered at the limiting confidence level in the present approximation. Moreover, the stabilization/ destabilization introduced by the environment and by the vibrational entropy should be considered.
  • 34
    • 0011489721 scopus 로고    scopus 로고
    • note
    • 10
  • 35
    • 0011389763 scopus 로고    scopus 로고
    • note
    • The change in proton affinity (PA) can be roughly estimated via a Förster cycle, according to which the variation of PA of S upon excitation is PA(S*) - PA(S) = gap(S) - gap(HS), were S and HS are the protonated and deprotonated state, respectively.
  • 37
    • 0011489065 scopus 로고    scopus 로고
    • The thermatization is achieved by adopting the usual procedure of randomizing initial conditions (for example, see: 20)
    • The thermatization is achieved by adopting the usual procedure of randomizing initial conditions (for example, see: 20).
  • 38
    • 0011437492 scopus 로고    scopus 로고
    • Additional information is available on request
    • Additional information is available on request.
  • 39
    • 0011389036 scopus 로고    scopus 로고
    • note
    • Changing the scaling factors by 10-20% did not produce any qualitative change in the spectrum. Any accurate choice of these factors would be inappropriate, since the description of the change in bond strengths due to the electronic excitation is only qualitative.
  • 40
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    • Blanchet, V.; Zgierski, M.Z.; Seideman, T.; Stolow, A. Nature 1999, 401, 52. Concerning the time length of our simulation, we observe that a time scale of 1.5 ps does not allow a complete thermalization, implying that the "hot-state" situation is described.
    • (1999) Nature , vol.401 , pp. 52
    • Blanchet, V.1    Zgierski, M.Z.2    Seideman, T.3    Stolow, A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.