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Jiali Gao: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Cristóbal Alhambra, Jiali Gao
    Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:13, pp:1192-1203 [Journal]
  2. Jiali Gao
    Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:8, pp:1061-1071 [Journal]
  3. Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao
    Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:2, pp:177-190 [Journal]
  4. Marek Freindorf, Jiali Gao
    Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:4, pp:386-395 [Journal]
  5. Yirong Mo, Jiali Gao
    Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1458-1469 [Journal]
  6. Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.
    A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:2, pp:221-239 [Journal]
  7. Ramkumar Rajamani, Jiali Gao
    Combined QM/MM study of the opsin shift in bacteriorhodopsin. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:1, pp:96-105 [Journal]
  8. Ramkumar Rajamani, Kevin J. Naidoo, Jiali Gao
    Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:14, pp:1775-1781 [Journal]

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