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Volumn 125, Issue 45, 2003, Pages 13804-13818

Myoglobin-CO Substate Structures and Dynamics: Multidimensional Vibrational Echoes and Molecular Dynamics Simulations

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; MOLECULAR DYNAMICS; PROTONS; SPECTROSCOPIC ANALYSIS;

EID: 0242407234     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja035654x     Document Type: Article
Times cited : (117)

References (83)
  • 56
    • 0012554554 scopus 로고
    • δ of the doubly protonated histidine residue defined in MOIL. A complete listing of our modifications of MOIL force field files, which would allow our MD simulations to be reproduced, is given in the Supporting Information.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 1666-1671
    • Jorgensen1    Tirado-Rives2
  • 57
    • 84986512474 scopus 로고
    • δ of the doubly protonated histidine residue defined in MOIL. A complete listing of our modifications of MOIL force field files, which would allow our MD simulations to be reproduced, is given in the Supporting Information.
    • (1983) J. Comput. Chem. , vol.4 , pp. 187-217
    • Brooks1
  • 58
    • 0021757436 scopus 로고
    • δ of the doubly protonated histidine residue defined in MOIL. A complete listing of our modifications of MOIL force field files, which would allow our MD simulations to be reproduced, is given in the Supporting Information.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 765-784
    • Weiner1
  • 60
    • 0242561603 scopus 로고    scopus 로고
    • note
    • The laser pulses in the calculation are transform-limited Gausian line shape pulses with a full-width-half-maximum (fwhm) of 125 fs at the intensity level.
  • 64
    • 0242646226 scopus 로고    scopus 로고
    • note
    • w comparable to the agreement shown in Figure 8.
  • 65
    • 0242394419 scopus 로고    scopus 로고
    • note
    • -1/(MV/cm) (ref 45). The vibrational echo decay at the concentrations used in those experiments was concentration-dependent and became faster as the concentration was reduced. We attribute the slower vibrational echo decays in ref 45 to the higher viscosity of the more concentrated protein sample.
  • 68
    • 0242477793 scopus 로고    scopus 로고
    • note
    • The range in the value of λ results from uncertainties in the local electric field correction factor for the heme pocket associated with applying an external electric field to a dielectric medium. See refs 64-65.
  • 69
    • 0242394413 scopus 로고    scopus 로고
    • note
    • δ-H tautomer of the electric field at the CO generated by the solvent.
  • 72
    • 0242394414 scopus 로고    scopus 로고
    • note
    • ε and contributes little to the time dependence of the total FFCF in either state.
  • 74
    • 0242394417 scopus 로고    scopus 로고
    • Ph.D. Thesis, Stanford University
    • Merchant, K. A. Ph.D. Thesis, Stanford University, 2003.
    • (2003)
    • Merchant, K.A.1
  • 77
    • 0242394415 scopus 로고    scopus 로고
    • note
    • The total dephasing is overwhelmingly dominated by pure dephasing processes in this system and would be essentially unaffected by small errors in the second excited-state lifetime.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.