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msuarezdiez dynamics [4 articles]

最近 msuarezdiez さんのライブラリに追加された論文の中から タグ dynamics. You can also see everyone's dynamics.
  • Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm
    Journal of Computational Chemistry, Vol. 24, No. 13. (2003), pp. 1549-1562.
    by Guosheng Wu, Daniel H Robertson, Charles L Brooks, Michal Vieth
  • Monte Carlo simulations of biomolecules: The MC module in CHARMM.
    J Comput Chem, Vol. 27, No. 2. (30 January 2006), pp. 203-216.
    by J Hu, A Ma, AR Dinner
    posted to charmm dynamics molecular monte-carlo by msuarezdiez on 2008-01-16 12:44:28 as **
  • Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
    Journal of Computational Chemistry, Vol. 28, No. 9. (2007), pp. 1485-1502.
    by Lee H Woodcock, Milan Hodo?ček, Andrew TB Gilbert, Peter MW Gill, Henry F Schaefer, Bernard R Brooks
    posted to charmm dynamics molecular by msuarezdiez on 2008-01-16 12:42:51 as **
  • Computational sidechain placement and protein mutagenesis with implicit solvent models.
    Proteins, Vol. 67, No. 4. (1 June 2007), pp. 853-867.
    posted to design dynamics implicit molecular protein solvent by msuarezdiez on 2008-01-15 14:52:29 as **
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