Works by Han, Ju‐Guang

Results: 16

Molecular dynamics exploration of the binding mechanism and properties of single-walled carbon nanotube to WT and mutant VP35 FBP region of Ebola virus.

Published in:

Journal of Biological Physics, 2017, v. 43, n. 1, p. 149, doi. 10.1007/s10867-016-9440-5

By:

Zhang, Yan-Jun;
Ding, Jing-Na;
Zhong, Hui;
Sun, Chang-Ping;
Han, Ju-Guang

Publication type:

Article

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.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 2, p. 1, doi. 10.1007/s00894-014-2122-y

By:

Li, Dan;
Zhang, Ying;
Zhao, Run-Ning;
Fan, Song;
Han, Ju-Guang

Publication type:

Article

The investigations on HIV-1 gp120 bound with BMS-488043 by using docking and molecular dynamics simulations.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 905, doi. 10.1007/s00894-012-1619-5

By:

Li, Liang;
Chen, Hang;
Zhao, Run-Ning;
Han, Ju-Guang

Publication type:

Article

Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 1841, doi. 10.1007/s00894-011-1205-2

By:

Li, Dan;
Han, Ju-Guang;
Chen, Hang;
Li, Liang;
Zhao, Run-Ning;
Liu, Guang;
Duan, Yuhua

Publication type:

Article

A density functional investigation on the electronic and magnetic properties of LnSi (Ln=La-Lu) Diatom.

Published in:

Journal of Chemical Sciences, 2016, v. 128, n. 3, p. 365, doi. 10.1007/s12039-015-1010-z

By:

ZHAO, RUN-NING;
CHEN, RUI;
YUAN, YAN-HONG;
GU, FAN;
HAN, JU-GUANG

Publication type:

Article

Evaluating Electronic Properties of Self‐Assembled Inner Hollow (InAs)<sub>12n</sub> (n = 1–16) Nanomaterials With High Solar Light‐to‐Electricity Efficiencies Using First Principle Modeling.

Published in:

Applied Organometallic Chemistry, 2025, v. 39, n. 2, p. 1, doi. 10.1002/aoc.7985

By:

Zhao, Run‐Ning;
Chen, Rui;
Han, Ju‐Guang

Publication type:

Article

Geometries and Electronic Properties of Transition Metal Hafnium-Doped Boron Clusters: A Computational Investigation.

Published in:

Polycyclic Aromatic Compounds, 2016, v. 36, n. 3, p. 252, doi. 10.1080/10406638.2014.970292

By:

Zhao, Run-Ning;
Yuan, Yanhong;
Han, Ju-Guang

Publication type:

Article

A Computational Investigation on Boron Clusters with W Impurity.

Published in:

Polycyclic Aromatic Compounds, 2015, v. 35, n. 5, p. 439, doi. 10.1080/10406638.2014.935450

By:

Zhao, Run-Ning;
Yuan, Yanhong;
Han, Ju-Guang

Publication type:

Article

Evaluating Electronic Properties of Self‐Assembled Indium Phosphide Nanomaterials as High‐Efficient Solar Cell.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 21, p. 1, doi. 10.1002/qua.27513

By:

Zhao, Run‐Ning;
Jin, Hua;
Lin, Fan;
Han, Ju‐Guang

Publication type:

Article

Exploration on Electronic Properties of Self-Assembled Indium Nitrogen Nanosheets and Nanowires by a Density Functional Method.

Published in:

Molecules, 2023, v. 28, n. 21, p. 7358, doi. 10.3390/molecules28217358

By:

Zhao, Running;
Chen, Rui;
Zhao, Hua;
Lin, Fan;
Han, Ju-Guang

Publication type:

Article

Insights into resistance mechanism of the macrolide biosensor protein MphR(A) binding to macrolide antibiotic erythromycin by molecular dynamics simulation.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 12, p. 1123, doi. 10.1007/s10822-015-9881-0

By:

Feng, Tingting;
Zhang, Yanjun;
Ding, Jing-Na;
Fan, Song;
Han, Ju-Guang

Publication type:

Article

A density functional computational investigation on electronic properties of the stable irregular boron fullerenes with 20-56 atoms.

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 421, doi. 10.1002/qua.25056

By:

Zhao, Run ‐ Ning;
Chen, Rui;
Gu, Fan;
Yuan, Yan ‐ Hong;
Han, Ju ‐ Guang

Publication type:

Article

A computational investigation on the geometries, stabilities, antioxidant activity, and the substituent effects of the L-ascorbic acid and their derivatives.

Published in:

International Journal of Quantum Chemistry, 2013, v. 113, n. 19, p. 2220, doi. 10.1002/qua.24434

By:

Zhao, Run‐Ning;
Yuan, Yanhong;
Liu, Fuyi;
Han, Ju‐Guang;
Sheng, LiuSi

Publication type:

Article

A simulation investigation on interaction mechanism between Ebola nucleoprotein and VP35 peptide.

Published in:

Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 4, p. 1009, doi. 10.1080/07391102.2017.1307143

By:

Ding, Jing-Na;
Zhang, Yan-Jun;
Zhong, Hui;
Ao, Cheng-Cheng;
Han, Ju-Guang

Publication type:

Article

Exploration micromechanism of VP35 IID interaction and recognition dsRNA: A molecular dynamics simulation.

Published in:

Proteins, 2017, v. 85, n. 6, p. 1008, doi. 10.1002/prot.25269

By:

Zhang, Yan‐Jun;
Ding, Jing‐Na;
Zhong, Hui;
Han, Ju‐Guang

Publication type:

Article

Exploring interaction mechanisms of the inhibitor binding to the VP35 IID region of Ebola virus by all atom molecular dynamics simulation method.

Published in:

Proteins, 2015, v. 83, n. 12, p. 2263, doi. 10.1002/prot.24945

By:

Zhang, Yan‐Jun;
Ding, Jing‐Na;
Feng, Ting‐Ting;
Han, Ju‐Guang

Publication type:

Article