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2020 – today
- 2024
[j15]Chenguang Ma, Di Wang, Kai Zhao, Jiali Gao, Heng Wang
, Aoming Zhang, Lang Cheng, Yingjie Zhang:
Layer-wise surface quality improvement in laser powder bed fusion through surface anomaly detection and control. Comput. Ind. Eng. 191: 110098 (2024)- [c2]Yi Yang, Puchen Zhu, Xuchen Wang, Weibing Li, Jiali Gao, Richard M. Voyles, Xin Ma:
A Fractional-Order Recurrent Neural Network Model for Time-Variant Quadratic Programming in Robot Motion Planning. AIM 2024: 1545-1552 - 2023
- [c1]Na Hu, Jiali Gao:
Research on Diabetes Prediction Model Based on Machine Learning Algorithms. CIPAE 2023: 200-203 - 2022
- [j14]Lin Ji, Yue Li, Jie Wang, An Ning, Naixin Zhang, Shengyao Liang, Jiyun He, Tianyu Zhang, Zexing Qu, Jiali Gao:
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms. J. Chem. Inf. Model. 62(10): 2352-2364 (2022) - 2020
- [j13]Xin Chen, Zexing Qu, Bingbing Suo, Jiali Gao:
A self-consistent coulomb bath model using density fitting. J. Comput. Chem. 41(18): 1698-1708 (2020)
2010 – 2019
- 2011
- [j12]Ramkumar Rajamani, Yen-Lin Lin, Jiali Gao:
The opsin shift and mechanism of spectral tuning in rhodopsin. J. Comput. Chem. 32(5): 854-865 (2011) - [j11]Peng Zhang, Peng Bao, Jiali Gao:
Dipole preserving and polarization consistent charges. J. Comput. Chem. 32(10): 2127-2139 (2011)
2000 – 2009
- 2009
- [j10]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:
CHARMM: The biomolecular simulation program. J. Comput. Chem. 30(10): 1545-1614 (2009) - 2007
- [j9]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. J. Comput. Chem. 29(4): 514-522 (2007) - 2003
- [j8]Mireia Garcia-Viloca, Cristóbal Alhambra, Donald G. Truhlar, Jiali Gao:
Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. J. Comput. Chem. 24(2): 177-190 (2003) - [j7]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. J. Comput. Chem. 24(14): 1775-1781 (2003) - 2002
- [j6]Ramkumar Rajamani, Jiali Gao:
Combined QM/MM study of the opsin shift in bacteriorhodopsin. J. Comput. Chem. 23(1): 96-105 (2002) - 2000
- [j5]Cristóbal Alhambra, Jiali Gao:
Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase. J. Comput. Chem. 21(13): 1192-1203 (2000) - [j4]Yirong Mo, Jiali Gao:
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. J. Comput. Chem. 21(16): 1458-1469 (2000)
1990 – 1999
- 1997
- [j3]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. J. Comput. Chem. 18(2): 221-239 (1997) - [j2]Jiali Gao:
Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model. J. Comput. Chem. 18(8): 1061-1071 (1997) - 1996
- [j1]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. J. Comput. Chem. 17(4): 386-395 (1996)
Coauthor Index
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