Jiali Gao - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 14 from 14

2023

Research on Diabetes Prediction Model Based on Machine Learning AlgorithmsNa Hu, Jiali Gao. cipae 2023: 200-203 [doi]

2022

Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction MechanismsLin Ji, Yue Li, Jie Wang, An Ning, Naixin Zhang, Shengyao Liang, Jiyun He, Tianyu Zhang, Zexing Qu, Jiali Gao. jcisd, 62(10):2352-2364, 2022. [doi]

2020

A self-consistent coulomb bath model using density fittingXin Chen, Zexing Qu, Bingbing Suo, Jiali Gao. jcc, 41(18):1698-1708, 2020. [doi]

2011

The opsin shift and mechanism of spectral tuning in rhodopsinRamkumar Rajamani, Yen-Lin Lin, Jiali Gao. jcc, 32(5):854-865, 2011. [doi]

Dipole preserving and polarization consistent chargesPeng Zhang, Peng Bao, Jiali Gao. jcc, 32(10):2127-2139, 2011. [doi]

2007

Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in waterJiali Gao, Kin-Yiu Wong, Dan T. Major. jcc, 29(4):514-522, 2007. [doi]

2003

Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effectsMireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao. jcc, 24(2):177-190, 2003. [doi]

Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solutionRamkumar Rajamani, Kevin J. Naidoo, Jiali Gao. jcc, 24(14):1775-1781, 2003. [doi]

2002

Combined QM/MM study of the opsin shift in bacteriorhodopsinRamkumar Rajamani, Jiali Gao. jcc, 23(1):96-105, 2002. [doi]

2000

Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphataseCristóbal Alhambra, Jiali Gao. jcc, 21(13):1192-1203, 2000. [doi]

Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in waterYirong Mo, Jiali Gao. jcc, 21(16):1458-1469, 2000. [doi]

1997

Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent modelJiali Gao. jcc, 18(8):1061-1071, 1997. [doi]

A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotidesJoseph J. Pavelites, Jiali Gao, Paul A. Bash, Alexander D. MacKerell Jr.. jcc, 18(2):221-239, 1997. [doi]

1996

Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis setMarek Freindorf, Jiali Gao. jcc, 17(4):386-395, 1996. [doi]

Sign in or sign up to see more results.

runs on WebDSL