Publications by authors named "Run-Ning Zhao"

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A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB) (n = 6-27, 30) functional nanomaterials.
Run-Ning Zhao, Zi-Chen Lu, Rui Chen, Ju-Guang Han

Phys Chem Chem Phys· December 2019

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Correction: A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB) (n = 6-27, 30) functional nanomaterials.
Run-Ning Zhao, Zi-Chen Lu, Rui Chen, Ju-Guang Han

Phys Chem Chem Phys· December 2019

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Molecular dynamics study of segment peptides of Bax, Bim, and Mcl-1 BH3 domain of the apoptosis-regulating proteins bound to the anti-apoptotic Mcl-1 protein.
Run-Ning Zhao, Song Fan, Ju-Guang Han, Guang Liu

J Biomol Struct Dyn· January 2016

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Investigation on the mechanism for the binding and drug resistance of wild type and mutations of G86 residue in HIV-1 protease complexed with Darunavir by molecular dynamic simulation and free energy calculation.
Dan Li, Ying Zhang, Run-Ning Zhao, Song Fan, Ju-Guang Han

J Mol Model· February 2014

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The investigations on HIV-1 gp120 bound with BMS-488043 by using docking and molecular dynamics simulations.
Liang Li, Hang Chen, Run-Ning Zhao, Ju-Guang Han

J Mol Model· February 2013

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Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations.
Dan Li, Ju-Guang Han, Hang Chen, Liang Li, Run-Ning Zhao

J Mol Model· May 2012

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Does the incoming oxygen atom influence the geometries and the electronic and magnetic structures of Co(n) clusters?
Li Liu, Run-Ning Zhao, Ju-Guang Han, Fu-Yi Liu, Guo-Qiang Pan

J Phys Chem A· January 2009

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Geometries and stabilities of the carbon clusters with the rhodium impurity: a computational investigation.
Li-Chao Jia, Run-Ning Zhao, Ju-Guang Han, Liu-Si Sheng, Wei-Ping Cai

J Phys Chem A· May 2008

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Geometries, stabilities, and growth patterns of the bimetal Mo2-doped Sin (n=9-16) clusters: a density functional investigation.
Ju-Guang Han, Run-Ning Zhao, Yuhua Duan

J Phys Chem A· March 2007

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Geometries and magnetisms of the Zr(n) (n=2-8) clusters: the density functional investigations.
Chun-Cheng Wang, Run-Ning Zhao, Ju-Guang Han

J Chem Phys· May 2006

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Geometries and electronic properties of the neutral and charged rare earth Yb-doped Si(n) (n = 1-6) clusters: a relativistic density functional investigation.
Run-Ning Zhao, Zhao-Yu Ren, Ping Guo, Jin-Tao Bai, Chong-Hui Zhang

J Phys Chem A· March 2006

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