Publications by authors named "Xu-Ri Huang"

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The value of tissue quantitative diffusion analysis of ultrasound elastography in the diagnosis of early-stage chronic kidney disease.
Dan-Ling Zhang, Sheng Chen, Jia-Ming Xu, Na-Lin, Hai-Yan Wu, Xu-Ri Huang

BMC Nephrol· October 2024

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Discovery of potential RIPK1 inhibitors by machine learning and molecular dynamics simulations.
Ji-Xiang Liu, Ri-Song Na, Lian-Juan Yang, Xu-Ri Huang, Xi Zhao

Phys Chem Chem Phys· November 2023

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Molecular simulations study of novel 1,4-dihydropyridines derivatives with a high selectivity for Cav3.1 calcium channel.
Xiaoguang Liu, Hui Yu, Xi Zhao, Xu-Ri Huang

Protein Sci· November 2015

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Understanding the Effects of Bidentate Directing Groups: A Unified Rationale for sp(2) and sp(3) C-H Bond Activations.
Hao Tang, Xu-Ri Huang, Jiannian Yao, Hui Chen

J Org Chem· May 2015

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Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito.
Hui Yu, Xi Zhao, Xian-Li Feng, Xuecheng Chen, Ewa Borowiak-Palen, Xu-Ri Huang

J Biomol Struct Dyn· October 2013

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Molecular dynamics simulations of the thermal stability of tteRBP and ecRBP.
Xian-Li Feng, Xi Zhao, Hui Yu, Tie-Dong Sun, Xu-Ri Huang

J Biomol Struct Dyn· October 2013

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Direct ab initio study on the rate constants of radical C2(A 3Π(u)) + C3H8 reaction.
Rui-Ping Huo, Xiang Zhang, Xu-Ri Huang, Ji-Lai Li, Chia-Chung Sun

J Mol Model· March 2013

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Comparison of the FeO(2+) and FeS(2+) complexes in the cyanide and isocyanide ligand environment for methane hydroxylation.
Hao Tang, Zhuo Li, Yu-Hong Yang, Ying Zhao, Su-Qin Wan, Xu-Ri Huang

J Comput Chem· June 2012

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Mechanism insights of ethane C-H bond activations by bare [Fe(III)═O]+: explicit electronic structure analysis.
Xiao-Li Sun, Xu-Ri Huang, Ji-Lai Li, Rui-Ping Huo, Chia-Chung Sun

J Phys Chem A· February 2012

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Mechanism of benzene hydroxylation by high-valent bare Fe(IV)=O2+: explicit electronic structure analysis.
Ji-Lai Li, Xiang Zhang, Xu-Ri Huang

Phys Chem Chem Phys· January 2012

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Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene.
Lili Zhang, Hui-Ling Liu, Guang-Hui Yang, Xu-Ri Huang, Yan Li

J Mol Model· December 2011

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Alkali metal atom-aromatic ring: a novel interaction mode realizes large first hyperpolarizabilities of M@AR (M=Li, Na, and K, AR=pyrrole, indole, thiophene, and benzene).
Guangtao Yu, Xu-Ri Huang, Wei Chen, Chia-Chung Sun

J Comput Chem· July 2011

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Direct ab initio dynamics study of radical C4H (X̃2Σ+) + CH4 reaction.
Rui-Ping Huo, Xiang Zhang, Xu-Ri Huang, Ji-Lai Li, Chia-Chung Sun

J Phys Chem A· April 2011

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Electric field-driven acid-base chemistry: proton transfer from acid (HCl) to base (NH3/H2O).
Zhong-Jun Zhou, Xiao-Ping Li, Zhen-Bo Liu, Zhi-Ru Li, Xu-Ri Huang

J Phys Chem A· March 2011

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Ab initio investigation on a new class of binuclear superalkali cations M2Li(2k+1)+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+).
Jing Tong, Ying Li, Di Wu, Zhi-Ru Li, Xu-Ri Huang

J Phys Chem A· March 2011

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Exceptionally large second-order nonlinear optical response in donor-graphene nanoribbon-acceptor systems.
Zhong-Jun Zhou, Xiao-Ping Li, Fang Ma, Zhen-Bo Liu, Zhi-Ru Li, Xu-Ri Huang

Chemistry· February 2011

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Releasing of the chromophore from the drug delivery protein C-1027: a molecular dynamics simulations study.
Yi-bo Wang, Xi Zhao, Hui Yu, Xu-ri Huang

J Struct Biol· December 2010

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Reaction mechanism of CH + C(3)H(6): a theoretical study.
Yan Li, Hui-Ling Liu, Zhong-Jun Zhou, Xu-Ri Huang, Chia-Chung Sun

J Phys Chem A· September 2010

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Lithium bonding interaction hyperpolarizabilities of various li-bond dimers.
Jing Tong, Ying Li, Di Wu, Zhi-Ru Li, Xu-Ri Huang

J Phys Chem A· May 2010

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Theoretical mechanistic study on the ion-molecule reaction of CHCl- with CS2.
Yan Li, Hui-ling Liu, Yan-bo Sun, Zhuo Li, Xu-ri Huang

J Phys Chem A· March 2010

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Molecular dynamics simulations investigation of neocarzinostatin chromophore-releasing pathways from the holo-NCS protein.
Xi Zhao, Song Wang, Xue-Feng Gao, Xu-Ri Huang, Chia-Chung Sun

J Struct Biol· January 2010

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Radical-molecule reaction C(3P) + C3H6: mechanistic study.
Yan Li, Hui-ling Liu, Xu-ri Huang, Yan-bo Sun, Zhuo Li

J Phys Chem A· October 2009

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Low ionization potentials of binuclear superalkali B(2)Li(11).
Jing Tong, Ying Li, Di Wu, Zhi-Ru Li, Xu-Ri Huang

J Chem Phys· October 2009

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Theoretical study of the C(3P) + trans-C4H8 reaction.
Yan Li, Hui-ling Liu, Xu-ri Huang, De-Quan Wang, Chia-chung Sun

J Phys Chem A· June 2009

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A dependence on the petal number of the static and dynamic first hyperpolarizability for electride molecules: many-petal-shaped Li-doped cyclic polyamines.
Zong-Jun Li, Zhi-Ru Li, Fang-Fang Wang, Cheng Luo, Fang Ma, Xu-Ri Huang

J Phys Chem A· March 2009

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