Hujun Shen

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 19

Top Topics

Molecular Dynamics Simulations

Respiratory Syndrome Coronavirus

Walled Carbon Nanotubes

Metal Organic Framework

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Hujun Shen, Ling Chen, Xuefeng Zou, Qingqing Wu
Modeling Vibrational Sum Frequency Generation Spectra of Interfacial Water on a Gold Surface: The Role of the Fermi Resonance. The journal of physical chemistry. B (2024)
Hujun Shen, Ling Chen, Xuefeng Zou, Qingqing Wu
Modeling Vibrational Sum Frequency Generation Spectra of Interfacial Water on a Gold Surface: The Role of the Fermi Resonance. The journal of physical chemistry. B 128 (27) (2024)
Hujun Shen, Hengxiu Yang
Binding of synthetic nanobodies to the SARS-CoV-2 receptor-binding domain: the importance of salt bridges. Physical chemistry chemical physics : PCCP (2023)
Hujun Shen, Xu Shen, Zhenhua Wu
Simulating the isotropic Raman spectra of O-H stretching mode in liquid H 2 O based on a machine learning potential: the influence of vibrational couplings. Physical chemistry chemical physics : PCCP (2023)
Xia Chen, Yonggang Wu, Mingsen Deng, Hujun Shen, Jianwen Ding, Wentao Wang
Effects of Fluorination and Molybdenum Codoping on Monoclinic BiVO 4 Photocatalyst by HSE Calculations. ACS omega 7 (20) (2022)
Bo Li, Tiejun Xiao, Hujun Shen, Mingsen Deng, Feng Long Gu
An intramolecular-locked strategy for designing nonlinear optical materials with remarkable first hyperpolarizability. Physical chemistry chemical physics : PCCP 24 (36) (2022)
Hujun Shen, Zhenhua Wu
Effect of Disulfide Bridge on the Binding of SARS-CoV-2 Fusion Peptide to Cell Membrane: A Coarse-Grained Study. ACS omega 7 (41) (2022)
Bo Li, Hujun Shen, Mingsen Deng, Feng Long Gu
Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the -BF 2 Group. The journal of physical chemistry letters 13 (1) (2022)
Hujun Shen, Zhenhua Wu, Ling Chen
Different Binding Modes of SARS-CoV-1 and SARS-CoV-2 Fusion Peptides to Cell Membranes: The Influence of Peptide Helix Length. The journal of physical chemistry. B (2022)
Hujun Shen, Xuefeng Zou, Hengxiu Yang, Wenhui Zhong, Yu Wang, Shuiyi Wang, Mingsen Deng
Adsorption of Organic Molecules and Surfactants on Graphene: A Coarse-Grained Study. The journal of physical chemistry. A 125 (2) (2021)
Hujun Shen, Zhenhua Wu, Chan Lu
Extension of the CAVS model to the simulation of helical peptides in a membrane environment. Physical chemistry chemical physics : PCCP 23 (22) (2021)
Wenhui Zhong, Yue Qiu, Hujun Shen, Xijun Wang, Jianyong Yuan, Chuanyi Jia, Siwei Bi, Jun Jiang
Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N. Journal of the American Chemical Society 143 (11) (2021)
Ting Deng, Chao Cen, Hujun Shen, Shuyi Wang, Jingdong Guo, Shaohong Cai, Mingsen Deng
Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor. The journal of physical chemistry letters 11 (15) (2020)
Hujun Shen, Zhenhua Wu, Kun Zhao, Hengxiu Yang, Mingsen Deng, Shuiguo Wen
Effect of Cholesterol and 6-Ketocholestanol on Membrane Dipole Potential and Sterol Flip-Flop Motion in Bilayer Membranes. Langmuir : the ACS journal of surfaces and colloids 35 (34) (2019)
Hujun Shen, Kun Zhao, Zhenhua Wu
Effects of Ether Linkage on Membrane Dipole Potential and Cholesterol Flip-Flop Motion in Lipid Bilayer Membranes. The journal of physical chemistry. B 123 (37) (2019)
Hujun Shen, Zhenhua Wu, Mingsen Deng, Shuiguo Wen, Chenggui Gao, Shixiong Li, Xupu Wu
Molecular Dynamics Simulations of Ether- and Ester-Linked Phospholipid Bilayers: A Comparative Study of Water Models. The journal of physical chemistry. B 122 (40) (2018)
Zhengjian Chen, Yanan Huo, Panfeng Long, Hujun Shen, Jong-Min Lee
Effects of electrostatic interaction on the properties of ionic liquids correlated with the change of free volume. Physical chemistry chemical physics : PCCP 19 (7) (2018)
Hujun Shen, Mingsen Deng, Zhenhua Wu, Wentao Wang, Yachao Zhang, Chengui Gao, Cao Cen
Effect of Cholesterol on Membrane Dipole Potential: Atomistic and Coarse-Grained Molecular Dynamics Simulations. Journal of chemical theory and computation 14 (7) (2018)
Hujun Shen, Mingsen Deng, Yachao Zhang
Extension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostatics. Journal of computational chemistry 38 (13) (2017)