Works by Gao, Jiali

Results: 79

The Magnitude of Hyperconjugation in Ethane: A Perspective from Ab Initio Valence Bond Theory ( This work has been supported by the National Natural Science Foundation of China (Grant Nos. 20225311, 20021002, and 90206038). The work is also supported by the Western Michigan University (YM) and the National Institutes of Health (JG). )

Published in:

Angewandte Chemie, 2004, v. 116, n. 15, p. 2020, doi. 10.1002/ange.200352931

By:

Yirong Mo;
Wei Wu;
Lingchun Song;
Menghai Lin;
Qianer Zhang;
Jiali Gao

Publication type:

Article

QM/MM through the 1990s: The First Twenty Years of Method Development and Applications.

Published in:

Israel Journal of Chemistry, 2014, v. 54, n. 8/9, p. 1250, doi. 10.1002/ijch.201400036

By:

Liu, Meiyi;
Wang, Yingjie;
Chen, Yakun;
Field, Martin J.;
Gao, Jiali

Publication type:

Article

The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A.

Published in:

eLife, 2024, p. 1, doi. 10.7554/eLife.91506

By:

Olivieri, Cristina;
Yingjie Wang;
Walker, Caitlin;
Subrahmanian, Manu Veliparambil;
Ha, Kim N.;
Bernlohr, David;
Jiali Gao;
Camilloni, Carlo;
Vendruscolo, Michele;
Taylor, Susan S.;
Veglia, Gianluigi

Publication type:

Article

Traditional Herbal Medicine-Derived Sulforaphene LFS-01 Reverses Colitis in Mice by Selectively Altering the Gut Microbiota and Promoting Intestinal Gamma-Delta T Cells.

Published in:

Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2017.00959

By:

Li, Ming;
Gao, Jiali;
Tang, Yan;
Liu, Meishuo;
Wu, Sijin;
Qu, Kunli;
Long, Xiangyu;
Li, Huajun;
Liu, Min;
Liu, Yinhui;
Yuan, Jieli;
Mao, Lei;
Liu, Yu;
Zheng, Xiliang;
Wang, Erkang;
Wang, Jin;
Yang, Yongliang

Publication type:

Article

On the English Translation Strategy of Science Fiction from Humboldt's Linguistic Worldview --Taking the English Translation of Three-Body Problem as an Example.

Published in:

Theory & Practice in Language Studies (TPLS), 2021, v. 11, n. 2, p. 186, doi. 10.17507/tpls.1102.11

By:

Jiali Gao;
Yan Hua

Publication type:

Article

Cadherin-26 Amplifies Airway Epithelial IL-4 Receptor Signaling in Asthma.

Published in:

American Journal of Respiratory Cell & Molecular Biology, 2022, v. 67, n. 5, p. 539, doi. 10.1165/rcmb.2021-0109OC

By:

Yuchen Feng;
Shengchong Chen;
Luyang Xiong;
Chenli Chang;
Wenliang Wu;
Dian Chen;
Jiali Gao;
Gongqi Chen;
Lingling Yi;
Guohua Zhen

Publication type:

Article

Catalytic Asymmetric α‐Alkylsulfenylation with a Disulfide Reagent.

Published in:

Angewandte Chemie, 2022, v. 134, n. 39, p. 1, doi. 10.1002/ange.202209044

By:

Shi, Mingying;
Zhang, Qi;
Gao, Jiali;
Mi, Xueling;
Luo, Sanzhong

Publication type:

Article

A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints.

Published in:

Journal of Biomolecular NMR, 2009, v. 44, n. 4, p. 195, doi. 10.1007/s10858-009-9328-9

By:

Shi, Lei;
Traaseth, Nathaniel;
Verardi, Raffaello;
Cembran, Alessandro;
Gao, Jiali;
Veglia, Gianluigi

Publication type:

Article

Olanzapine (5 mg) plus standard triple antiemetic therapy for the prevention of multiple-day cisplatin hemotherapy-induced nausea and vomiting: a prospective randomized controlled study.

Published in:

2022

By:

Gao, Jiali;
Zhao, Jun;
Jiang, Caihong;
Chen, Feng;
Zhao, Lanzhen;
Jiang, Ying;
Li, Hui;
Wang, Wenjuan;
Wu, Yungaowa;
Jin, Yilan;
Da, Lenggaowa;
Liu, Guang;
Zhang, Yajuan;
Li, Hongxia;
Zhang, Zewei;
Jin, Gaowa;
Li, Quanfu

Publication type:

journal article

Utilization of Machine Vision to Monitor the Dynamic Responses of Rice Leaf Morphology and Colour to Nitrogen, Phosphorus, and Potassium Deficiencies.

Published in:

Journal of Spectroscopy, 2018, p. 1, doi. 10.1155/2018/1469314

By:

Sun, Yuanyuan;
Gao, Jiali;
Wang, Ke;
Shen, Zhangquan;
Chen, Lisu

Publication type:

Article

Effects of Rolling Strategies on Microstructure Uniformity of High-Purity Tantalum Plates.

Published in:

Coatings (2079-6412), 2025, v. 15, n. 5, p. 575, doi. 10.3390/coatings15050575

By:

Zhu, Ziyi;
Luo, Junfeng;
Gao, Jiali;
Lv, Haishuang;
Jiang, Yuanyuan;
Bai, Jianghao;
He, Jinjiang

Publication type:

Article

Microstructure Features and Mechanical Properties of Casted CoFeB Alloy Target.

Published in:

Coatings (2079-6412), 2024, v. 14, n. 3, p. 255, doi. 10.3390/coatings14030255

By:

Zhu, Ziyi;
He, Jinjiang;
Li, Yongjun;
Luo, Junfeng;
Xu, Guojin;
Yang, Wenkui;
Liu, Dan;
Gao, Jiali

Publication type:

Article

Dynamics and mechanism of dimer dissociation of photoreceptor UVR8.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-021-27756-w

By:

Li, Xiankun;
Liu, Zheyun;
Ren, Haisheng;
Kundu, Mainak;
Zhong, Frank W.;
Wang, Lijuan;
Gao, Jiali;
Zhong, Dongping

Publication type:

Article

Excited state intramolecular proton transfer in 1-(trifluoroacetylamino)naphthaquinone: a CASPT2//CASSCF computational study†.

Published in:

Molecular Physics, 2006, v. 104, n. 5-7, p. 943, doi. 10.1080/00268970500417556

By:

Cembran, Alessandro;
Jiali Gao

Publication type:

Article

Rapid prediction of substrate deformation in laser deposition repair process for Ti-6.5Al-3.5Mo-1.5Zr-0.3Si alloy based on the inherent strain method.

Published in:

Journal of Mechanical Science & Technology, 2024, v. 38, n. 8, p. 4287, doi. 10.1007/s12206-024-0725-5

By:

Gao, Jiali;
Gong, Xianxin;
Wang, Yong;
Zhu, Lijian;
Dong, Qin;
Hao, Yunbo;
Zhao, Kai

Publication type:

Article

Prediction of TC11 single-track geometry in laser metal deposition based on back propagation neural network and random forest.

Published in:

Journal of Mechanical Science & Technology, 2022, v. 36, n. 3, p. 1417, doi. 10.1007/s12206-022-0229-0

By:

Gao, Jiali;
Wang, Chi;
Hao, Yunbo;
Liang, Xudong;
Zhao, Kai

Publication type:

Article

The mechanism underlying hypaconitine-mediated alleviation of pancreatitis-associated lung injury through up-regulating aquaporin-1/TNF-α.

Published in:

Turkish Journal of Gastroenterology, 2020, v. 31, n. 11, p. 790, doi. 10.5152/tjg.2020.19542

By:

Jiali Gao;
Lidao Bao;
Sha Li;
Aiwu Zhang

Publication type:

Article

Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations.

Published in:

FEBS Journal, 2011, v. 278, n. 14, p. 2579, doi. 10.1111/j.1742-4658.2011.08187.x

By:

Wong, Kin-Yiu;
Gao, Jiali

Publication type:

Article

Generalized Hybrid-Orbital Method for Combining Density Functional Theory with Molecular Mechanicals.

Published in:

ChemPhysChem, 2005, v. 6, n. 9, p. 1853, doi. 10.1002/cphc.200400602

By:

Jingzhi Pu;
Jiali Gao;
Donald G. Truhlar

Publication type:

Article

Porphyrin-like porous nanomaterials as drug delivery systems for ibuprofen drug.

Published in:

Molecular Physics, 2020, v. 118, n. 12, p. 1, doi. 10.1080/00268976.2019.1678776

By:

Gao, Jiali;
Guo, Chunyan;
Wang, Xin;
Zhang, Wenxu;
Wang, Yang;
Vahabi, Vahid

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 1997, v. 18, n. 8, p. 1061, doi. 10.1002/(SICI)1096-987X(199706)18:8<1061::AID-JCC10>3.0.CO;2-G

By:

Gao, Jiali

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 1997, v. 18, n. 2, p. 221, doi. 10.1002/(SICI)1096-987X(19970130)18:2<221::AID-JCC7>3.0.CO;2-X

By:

Pavelites, Joseph J.;
Gao, Jiali;
Bash, Paul A.;
Mackerell, Alexander D.

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 386, doi. 10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q

By:

Freindorf, Marek;
Gao, Jiali

Publication type:

Article

Conserved Conformational Hierarchy across Functionally Divergent Glycosyltransferases of the GT-B Structural Superfamily as Determined from Microsecond Molecular Dynamics.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 9, p. 4619, doi. 10.3390/ijms22094619

By:

Ramirez-Mondragon, Carlos A.;
Nguyen, Megin E.;
Milicaj, Jozafina;
Hassan, Bakar A.;
Tucci, Frank J.;
Muthyala, Ramaiah;
Gao, Jiali;
Taylor, Erika A.;
Sham, Yuk Y.;
Albanesi, Joseph P.

Publication type:

Article

Apolipoproteins, lipids, lipid-lowering drugs and risk of amyotrophic lateral sclerosis and frontotemporal dementia: a meta-analysis and Mendelian randomisation study.

Published in:

Journal of Neurology, 2024, v. 271, n. 10, p. 6956, doi. 10.1007/s00415-024-12665-x

By:

Chalitsios, Christos V.;
Ley, Harriet;
Gao, Jiali;
Turner, Martin R.;
Thompson, Alexander G.

Publication type:

Article

Creatine kinase and prognosis in amyotrophic lateral sclerosis: a literature review and multi-centre cohort analysis.

Published in:

2022

By:

Gao, Jiali;
Dharmadasa, Thanuja;
Malaspina, Andrea;
Shaw, Pamela J.;
Talbot, Kevin;
Turner, Martin R.;
Thompson, Alexander G.

Publication type:

Literature Review

Acute posterior multifocal placoid pigment epitheliopathy after alemtuzumab treatment for relapsing–remitting multiple sclerosis.

Published in:

2019

By:

Gao, Jiali;
Jones, Joanne;
Damato, Erika M.;
Coles, Alasdair

Publication type:

Letter

Multi-objective optimization of process parameters for laser metal deposition of NiTi shape memory alloy based on neural network and genetic algorithm.

Published in:

International Journal of Advanced Manufacturing Technology, 2024, v. 130, n. 9/10, p. 4663, doi. 10.1007/s00170-024-12974-5

By:

Gao, Jiali;
Wang, Xu;
Wang, Chi;
Hao, Yunbo;
Liang, Xudong;
Li, Weiqi;
Zhao, Kai

Publication type:

Article

Generalized hybrid orbital for the treatment of boundary atoms in combined quantum mechanical and molecular mechanical calculations using the semiempirical parameterized model 3 method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 111, n. 2-6, p. 280, doi. 10.1007/s00214-003-0512-9

By:

Garcia-Viloca, Mireia;
Gao, Jiali

Publication type:

Article

Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer states.

Published in:

NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00624-3

By:

Zhao, Ruoqi;
Hettich, Christian P.;
Chen, Xin;
Gao, Jiali

Publication type:

Article

Synthesis, crystal structure, DNA-binding properties, and antioxidant activity of a V-shaped ligand bis( N -methylbenzimidazol-2-ylmethyl)benzylamine and its zinc(II) complex.

Published in:

Journal of Coordination Chemistry, 2012, v. 65, n. 24, p. 4327, doi. 10.1080/00958972.2012.741229

By:

Wu, Huilu;
Yuan, Jingkun;
Bai, Ying;
Pan, Guolong;
Wang, Hua;
Shao, Juanhui;
Gao, Jiali;
Wang, Yaoyu

Publication type:

Article

Glycerol and acetic acid assisted mild strategy for facile synthesis of 3-heteroarylcoumarins via three-component reaction.

Published in:

Research on Chemical Intermediates, 2021, v. 47, n. 8, p. 3179, doi. 10.1007/s11164-021-04464-0

By:

Gao, Jiali;
Liu, Ao;
Li, Minghang;
Wang, Yuying;
Xiao, Yudi;
Lü, Chengwei;
An, Yue

Publication type:

Article

Comparison of clinical outcomes in patients with acute ischemic stroke who underwent endovascular treatment using different perfusion modalities: a real-world multicenter study.

Published in:

Frontiers in Neurology, 2023, p. 1, doi. 10.3389/fneur.2023.1275715

By:

Jiali Gao;
Zhen Jing;
Shengming Huang;
Jiajie Yang;
Min Guan;
Shijun Zhang;
Hao Li;
Yongxin Li;
Kui Lu;
Ming Yang;
Li’an Huang

Publication type:

Article

Catalytic Asymmetric α‐Alkylsulfenylation with a Disulfide Reagent.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 39, p. 1, doi. 10.1002/anie.202209044

By:

Shi, Mingying;
Zhang, Qi;
Gao, Jiali;
Mi, Xueling;
Luo, Sanzhong

Publication type:

Article

Sensitivity of molecular dynamics simulations to the choice of the X-ray structure used to model an enzymatic reaction.

Published in:

Protein Science: A Publication of the Protein Society, 2004, v. 13, n. 9, p. 2341, doi. 10.1110/ps.03504104

By:

Garcia-Viloca, Mireia;
Poulsen, Tina D.;
Truhlar, Donald G.;
Gao, Jiali

Publication type:

Article

The Proximal Protonation Source in Cu−NHx−C Single Atom Catalysts Selectively Boosts CO2 to Methane Electroreduction.

Published in:

Angewandte Chemie, 2025, v. 137, n. 15, p. 1, doi. 10.1002/ange.202424098

By:

Cai, Rongming;
Zhu, Hong;
Yang, Fei;
Ju, Min;
Huang, Xianzhen;
Wang, Jian;
Gu, M. Danny;
Gao, Jiali;
Yang, Shihe

Publication type:

Article

A prospective randomized controlled clinical trial investigating the efficacy of low-dose olanzapine in preventing nausea and vomiting associated with oxaliplatin-based and irinotecan-based chemotherapy.

Published in:

Journal of Cancer Research & Clinical Oncology, 2024, v. 150, n. 5, p. 1, doi. 10.1007/s00432-024-05712-7

By:

Shen, Jing;
Zhao, Juan;
Jin, Gaowa;
Li, Hui;
Jiang, Ying;
Wu, Yungaowa;
Gao, Jiali;
Chen, Feng;
Li, Jiaxuan;
Wang, Wenjuan;
Li, Quanfu

Publication type:

Article

Liraglutide Accelerates Ischemia-Induced Angiogenesis in a Murine Diabetic Model.

Published in:

Journal of the American Heart Association, 2023, v. 12, n. 4, p. 1, doi. 10.1161/JAHA.122.026586

By:

Yu-xin Zhu;
Yi Li;
Yu Ma;
Xiao Zhang;
Xingrong Du;
Jiali Gao;
Nian Hui Ding;
Liqun Wang;
Ni Chen;
Mao Luo;
Jianbo Wu;
Rong Li

Publication type:

Article

Mitochondria dysfunction in airway epithelial cells is associated with type 2-low asthma.

Published in:

Frontiers in Genetics, 2023, p. 1, doi. 10.3389/fgene.2023.1186317

By:

Lu Zhao;
Jiali Gao;
Gongqi Chen;
Chunli Huang;
Weiqiang Kong;
Yuchen Feng;
Guohua Zhen

Publication type:

Article

Mitochondria dysfunction in airway epithelial cells is associated with type 2-low asthma.

Published in:

Frontiers in Genetics, 2023, p. 1, doi. 10.3389/fgene.2023.1186317

By:

Lu Zhao;
Jiali Gao;
Gongqi Chen;
Chunli Huang;
Weiqiang Kong;
Yuchen Feng;
Guohua Zhen

Publication type:

Article

Dipole preserving and polarization consistent charges.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 10, p. 2127, doi. 10.1002/jcc.21795

By:

Zhang, Peng;
Bao, Peng;
Gao, Jiali

Publication type:

Article

The opsin shift and mechanism of spectral tuning in rhodopsin.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 5, p. 854, doi. 10.1002/jcc.21663

By:

Rajamani, Ramkumar;
Lin, Yen-Lin;
Gao, Jiali

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 4, p. 514, doi. 10.1002/jcc.20810

By:

Jiali Gao;
Kin-Yiu Wong;
Major, Dan T.

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 14, p. 1775

By:

Ramkumar Rajamani;
Kevin J. Naidoo;
Jiali Gao

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 177, doi. 10.1002/jcc.10154

By:

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

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2002, v. 23, n. 1, p. 96, doi. 10.1002/jcc.1159

By:

Rajamani, Ramkumar;
Gao, Jiali

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2000, v. 21, n. 16, p. 1458, doi. 10.1002/1096-987X(200012)21:16<1458::AID-JCC4>3.0.CO;2-2

By:

Mo, Yirong;
Gao, Jiali

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2000, v. 21, n. 13, p. 1192, doi. 10.1002/1096-987X(200010)21:13<1192::AID-JCC8>3.0.CO;2-I

By:

Alhambra, Cristobal;
Gao, Jiali

Publication type:

Article

Homology Modeling and Molecular Dynamics Simulations of the Mu Opioid Receptor in a Membrane–Aqueous System.

Published in:

ChemBioChem, 2005, v. 6, n. 5, p. 853, doi. 10.1002/cbic.200400207

By:

Yan Zhang;
Yuk Y. Sham;
Ramkumar Rajamani;
Jiali Gao;
Philip S. Portoghese

Publication type:

Article

Abnormal folate metabolism causes age‐, sex‐ and parent‐of‐origin‐specific haematological defects in mice.

Published in:

Journal of Physiology, 2018, v. 596, n. 18, p. 4341, doi. 10.1113/JP276419

By:

Gao, Jiali;
Li, Tanya;
Padmanabhan, Nisha;
Menelaou, Katerina;
Anderson, Alexander;
Blake, Georgina E. T.;
Daw, B. Nuala;
Watson, Erica D.

Publication type:

Article