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Volumn 57, Issue 1-4, 2007, Pages 375-377

Comparison of estimates of free energy for binding of mono- and di-substituted benzenes with α-cyclodextrin obtained by single-step perturbation and thermodynamic integration

Author keywords

Cyclodextrin; Single step perturbation; Substituted benzenes; Thermodynamic integration

Indexed keywords


EID: 34047179379     PISSN: 09230750     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10847-006-9257-0     Document Type: Conference Paper
Times cited : (4)

References (6)
  • 1
    • 0030134642 scopus 로고    scopus 로고
    • Estimating the relative free energy of different molecular states with respect to a single reference state
    • Liu, H.Y., Mark, A.E., Van Gunsteren, W.F.: Estimating the relative free energy of different molecular states with respect to a single reference state. J. Phys. Chem. 100, 9485-9494 (1996)
    • (1996) J. Phys. Chem , vol.100 , pp. 9485-9494
    • Liu, H.Y.1    Mark, A.E.2    Van Gunsteren, W.F.3
  • 2
    • 0346458810 scopus 로고    scopus 로고
    • Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation
    • Oostenbrink, C., Van Gunsteren, W.F.: Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation. Proteins 54(2), 237-246 (2004)
    • (2004) Proteins , vol.54 , Issue.2 , pp. 237-246
    • Oostenbrink, C.1    Van Gunsteren, W.F.2
  • 4
    • 4444282928 scopus 로고    scopus 로고
    • A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
    • Oostenbrink, C., Villa, A., Mark, A.E., Van Gunsteren, W.F.: A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6. J. Comput. Chem. 25(13), 1656-1676 (2004)
    • (2004) J. Comput. Chem , vol.25 , Issue.13 , pp. 1656-1676
    • Oostenbrink, C.1    Villa, A.2    Mark, A.E.3    Van Gunsteren, W.F.4
  • 5
    • 0033164367 scopus 로고    scopus 로고
    • Association constant prediction for the inclusion of α-cyclodextrin with benzene derivatives by an artificial neural network
    • Liu, L., Li, W.-G., Guo, Q.-X.: Association constant prediction for the inclusion of α-cyclodextrin with benzene derivatives by an artificial neural network. J. Incl. Phenom. 34, 291-298 (1999)
    • (1999) J. Incl. Phenom , vol.34 , pp. 291-298
    • Liu, L.1    Li, W.-G.2    Guo, Q.-X.3
  • 6
    • 20444494974 scopus 로고    scopus 로고
    • Novel prediction for the priving force and guest orientation in the complexation of α-and β-cyclodextrin with benzene derivatives[J]
    • Liu, L., Guo, Q.-X.: Novel prediction for the priving force and guest orientation in the complexation of α-and β-cyclodextrin with benzene derivatives[J]. J. Phys. Chem. B 103, 3461 (1999)
    • (1999) J. Phys. Chem. B , vol.103 , pp. 3461
    • Liu, L.1    Guo, Q.-X.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.