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qaiser_fatmi md [8 articles]

最近 qaiser_fatmi さんのライブラリに追加された論文の中から タグ md. You can also see everyone's md.
  • Absolute Binding Free Energy Calculations Using Molecular Dynamics Simulations with Restraining Potentials
    Biophys. J., Vol. 91, No. 8. (15 October 2006), pp. 2798-2814.
    by Jiyao Wang, Yuqing Deng, Benoit Roux
    posted to binding free-energy md by qaiser_fatmi on 2008-08-16 23:09:45 as ** along with 4 people and 1 group kupopo npt11tpn ashaytan cchang group
  • Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution
    Journal of Computational Chemistry, Vol. 28, No. 10. (2007), pp. 1704-1710.
    by Qaiser M Fatmi, Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
    posted to ab-initio md metal-ions qmcf simulation tio2 by qaiser_fatmi on 2008-07-23 20:26:17 as **
  • A QM/MM MD simulation study of hydrated Pd2+
    Chemical Physics Letters, Vol. 426, No. 4-6. (4 August 2006), pp. 301-305.
    by Shah, Thomas S Hofer, Qaiser M Fatmi, Bernhard R Randolf, Bernd M Rode
    posted to hartree-fock md pd qmmm simulation by qaiser_fatmi on 2008-07-23 20:17:15 as ** along with 1 group group
  • Temperature Effects on the Structural and Dynamical Properties of the Zn(II)-Water Complex in Aqueous Solution: A QM/MM Molecular Dynamics Study
    J. Phys. Chem. B, Vol. 110, No. 1. (12 January 2006), pp. 616-621.
    by MQ Fatmi, TS Hofer, BR Randolf, BM Rode
    posted to hartree-fock md qmmm simulation temperature-effect zinc by qaiser_fatmi on 2008-07-23 20:16:18 as ** along with 1 group group
  • Exploring Structure and Dynamics of the Diaquotriamminezinc(II) Complex by QM/MM MD Simulation
    J. Phys. Chem. B, Vol. 112, No. 18. (8 May 2008), pp. 5788-5794.
    by MQ Fatmi, TS Hofer, BR Randolf, BM Rode
    posted to hartree-fock md qmmm simulation zinc by qaiser_fatmi on 2008-07-23 20:15:44 as ** along with 1 group group
  • Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study
    Phys. Chem. Chem. Phys., Vol. 8, No. 14. (2006), pp. 1675-1681.
    by Qaiser M Fatmi, Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
    posted to hartree-fock md qmmm simulation zinc by qaiser_fatmi on 2008-07-23 20:14:57 as ** along with 1 group group
  • Stability of Different Zinc(II)-Diamine Complexes in Aqueous Solution with Respect to Structure and Dynamics: A QM/MM MD Study
    J. Phys. Chem. B, Vol. 111, No. 1. (11 January 2007), pp. 151-158.
    by MQ Fatmi, TS Hofer, BR Randolf, BM Rode
    posted to hartree-fock md qmmm simulation zinc by qaiser_fatmi on 2008-07-23 20:14:19 as ** along with 1 group group
  • An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution
    The Journal of Chemical Physics, Vol. 123, No. 5. (2005)
    by Qaiser M Fatmi, Thomas S Hofer, Bernhard R Randolf, Bernd M Rode
    posted to hartree-fock md qmmm simulation zinc by qaiser_fatmi on 2008-07-18 00:24:22 as *****
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