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]
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]
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]
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]
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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