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Volumn 16, Issue 2, 1998, Pages 289-300

Monte Carlo Simulation of DNA Fragment Hydration in the Presence of Alkaline Cations Using Novel Atom-Atom Potential Functions

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; COMPUTER SIMULATION; CONFORMATIONAL TRANSITION; DNA CONFORMATION; PRIORITY JOURNAL; SYSTEM ANALYSIS;

EID: 0031759145     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.1998.10508247     Document Type: Article
Times cited : (12)

References (37)
  • 1
    • 0029011701 scopus 로고
    • See, e.g., MacKerell, A.D., Jr., Wiorkiewicz-Kuczera, J. and Karplus, M., J. Am. Chem. Soc. 117, 11946 (1995); Jorgensen, J.L. and Tirado-Rives, J., J. Am. Chem. Soc 110, 1657 (1988); and references therein
    • Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, I. R., Merz, K. M., Ferguson, D. M., Spellmeyer, D. C., Fox, T., Caldwell, J. W., and Kollman, P. A., 1995. J. Am. Chem. Soc., 117:5179 See, e.g., MacKerell, A.D., Jr., Wiorkiewicz-Kuczera, J. and Karplus, M., J. Am. Chem. Soc. 117, 11946 (1995); Jorgensen, J.L. and Tirado-Rives, J., J. Am. Chem. Soc 110, 1657 (1988); and references therein
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 5179
    • Cornell, W.D.1    Cieplak, P.2    Bayly, C.I.3    Gould, I.R.4    Merz, K.M.5    Ferguson, D.M.6    Spellmeyer, D.C.7    Fox, T.8    Caldwell, J.W.9    Kollman, P.A.10
  • 17
    • 0039818122 scopus 로고
    • Dogonadze R., (ed), Amsterdam etc.: Elsevier, pt. A
    • Malenkov, G. G., 1985. The chemical physics of solvation Edited by:Dogonadze, R., 355–389. Amsterdam etc.:Elsevier. pt. A
    • (1985) The chemical physics of solvation , pp. 355-389
    • Malenkov, G.G.1
  • 32
    • 85023945297 scopus 로고    scopus 로고
    • Actually MC simulation does not allow to obtain dynamic characteristics of the system and to observe the process of dissociation in paricular. But of course tendency for dissociation of the complexes as a transition of a system to a more probable state with lower energy can be demonstrated as well as the most plausible pathways and transition states can be studied by MC simulation
    • Actually MC simulation does not allow to obtain dynamic characteristics of the system and to observe the process of dissociation in paricular. But of course tendency for dissociation of the complexes as a transition of a system to a more probable state with lower energy can be demonstrated as well as the most plausible pathways and transition states can be studied by MC simulation


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