Jiali Gao

	2011
12		Peng Zhang, Peng Bao, Jiali Gao: Dipole preserving and polarization consistent charges. Journal of Computational Chemistry 32(10): 2127-2139 (2011)
11		Ramkumar Rajamani, Yen-Lin Lin, Jiali Gao: The opsin shift and mechanism of spectral tuning in rhodopsin. Journal of Computational Chemistry 32(5): 854-865 (2011)
	2009
10		Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., L. Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, S. Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, V. Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus: CHARMM: The biomolecular simulation program. Journal of Computational Chemistry 30(10): 1545-1614 (2009)
	2007
9		Jiali Gao, Kin-Yiu Wong, Dan Thomas 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		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		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		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		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		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		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		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		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	G. Archontis	[10]
3	Peng Bao	[12]
4	Christian Bartels	[10]
5	Paul A. Bash	[3]
6	S. Boresch	[10]
7	Bernard R. Brooks	[10]
8	Charles L. Brooks III	[10]
9	Amedeo Caflisch	[10]
10	Leo S. D. Caves	[10]
11	Qiang Cui	[10]
12	Aaron R. Dinner	[10]
13	Michael Feig	[10]
14	S. Fischer	[10]
15	Marek Freindorf	[1]
16	Mireia Garcia-Viloca	[7]
17	Milan Hodoscek	[10]
18	Wonpil Im	[10]
19	Martin Karplus	[10]
20	Krzysztof Kuczera	[10]
21	Themis Lazaridis	[10]
22	Yen-Lin Lin	[11]
23	J. Ma	[10]
24	Alexander D. MacKerell Jr.	[3] [10]
25	Dan Thomas Major	[9]
26	Yirong Mo	[4]
27	Kevin J. Naidoo	[8]
28	L. Nilsson	[10]
29	V. Ovchinnikov	[10]
30	Emanuele Paci	[10]
31	Richard W. Pastor	[10]
32	Joseph J. Pavelites	[3]
33	Robert J. Petrella	[10]
34	C. B. Post	[10]
35	J. Z. Pu	[10]
36	Ramkumar Rajamani	[6] [8] [11]
37	Benoît Roux	[10]
38	Michael Schaefer	[10]
39	Bruce Tidor	[10]
40	Donald G. Truhlar	[7]
41	Richard M. Venable	[10]
42	Y. Won	[10]
43	Kin-Yiu Wong	[9]
44	H. Lee Woodcock III	[10]
45	X. Wu	[10]
46	W. Yang	[10]
47	Darrin M. York	[10]
48	Peng Zhang	[12]

Colors in the list of coauthors

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