Jiali Gao

2007
9	EE	Jiali Gao, Kin-Yiu Wong, Dan T. Major: Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water. Journal of Computational Chemistry 29(4): 514-522 (2007)
2003
8	EE	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. Journal of Computational Chemistry 24(14): 1775-1781 (2003)
7	EE	Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao: Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. Journal of Computational Chemistry 24(2): 177-190 (2003)
2002
6	EE	Ramkumar Rajamani, Jiali Gao: Combined QM/MM study of the opsin shift in bacteriorhodopsin. Journal of Computational Chemistry 23(1): 96-105 (2002)
2000
5	EE	Cristóbal Alhambra, Jiali Gao: Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase. Journal of Computational Chemistry 21(13): 1192-1203 (2000)
4	EE	Yirong Mo, Jiali Gao: Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. Journal of Computational Chemistry 21(16): 1458-1469 (2000)
1997
3	EE	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. Journal of Computational Chemistry 18(2): 221-239 (1997)
2	EE	Jiali Gao: Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model. Journal of Computational Chemistry 18(8): 1061-1071 (1997)
1996
1	EE	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. Journal of Computational Chemistry 17(4): 386-395 (1996)

Coauthor Index

1	Cristóbal Alhambra	[5] [7]
2	Paul A. Bash	[3]
3	Marek Freindorf	[1]
4	Mireia Garcia-Viloca	[7]
5	Alexander D. MacKerell Jr.	[3]
6	Dan T. Major	[9]
7	Yirong Mo	[4]
8	Kevin J. Naidoo	[8]
9	Joseph J. Pavelites	[3]
10	Ramkumar Rajamani	[6] [8]
11	Donald G. Truhlar	[7]
12	Kin-Yiu Wong	[9]

Colors in the list of coauthors