Jiali Gao

According to our database, Jiali Gao authored at least 15 papers between 1996 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Research on Diabetes Prediction Model Based on Machine Learning Algorithms.

Na Hu, Jiali Gao

Proceedings of the International Conference on Computers, 2023

2022

Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms.

Lin Ji, Yue Li, Jie Wang, An Ning, Naixin Zhang, Shengyao Liang, Jiyun He, Tianyu Zhang, Zexing Qu, Jiali Gao

J. Chem. Inf. Model., 2022

2020

A self-consistent coulomb bath model using density fitting.

Xin Chen, Zexing Qu, Bingbing Suo, Jiali Gao

J. Comput. Chem., 2020

2011

Dipole preserving and polarization consistent charges.

Peng Zhang, Peng Bao, Jiali Gao

J. Comput. Chem., 2011

The opsin shift and mechanism of spectral tuning in rhodopsin.

Ramkumar Rajamani, Yen-Lin Lin, Jiali Gao

J. Comput. Chem., 2011

2009

CHARMM: The biomolecular simulation program.

Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., Lennart Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, Stefan 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, Victor 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

J. Comput. Chem., 2009

2007

Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water.

Jiali Gao, Kin-Yiu Wong, Dan Thomas Major

J. Comput. Chem., 2007

2003

Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution.

Ramkumar Rajamani, Kevin J. Naidoo, Jiali Gao

J. Comput. Chem., 2003

Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects.

Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao

J. Comput. Chem., 2003

2002

Combined QM/MM study of the opsin shift in bacteriorhodopsin.

Ramkumar Rajamani, Jiali Gao

J. Comput. Chem., 2002

2000

Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water.

Yirong Mo, Jiali Gao

J. Comput. Chem., 2000

Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase.

Cristóbal Alhambra, Jiali Gao

J. Comput. Chem., 2000

1997

A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides.

Joseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.

J. Comput. Chem., 1997

Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model.

Jiali Gao

J. Comput. Chem., 1997

1996

Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set.

Marek Freindorf, Jiali Gao

J. Comput. Chem., 1996