Hujun Shen

发表

Specific and sensitive fluorescence anisotropy sensing of guanine-quadruplex structures via a photoinduced electron transfer mechanism.

Qiang Zhao, Hailin Wang, Dapeng Zhang, 2012, Analytical chemistry.

Comparative study of the binding mode between cytochrome P450 17A1 and prostate cancer drugs in the absence of haem iron

Hujun Shen, Dalong Song, Jihua Zhang, 2019, Journal of biomolecular structure & dynamics.

Mechanistic insight into the functional transition of the enzyme guanylate kinase induced by a single mutation

Yan Li, Huiying Chu, Guohui Li, 2015, Scientific Reports.

Exploring the Relation among Free Volume, Electrostatic Interaction, and Side Chain Flexibility of Ether‐Functionalized Ionic Liquids by Molecular Dynamics Simulations

Zhengjian Chen, Tiejun Xiao, Hujun Shen, 2017 .

A Physics-Based Coarse-Grained Model with Electric Multipoles

Hujun Shen, Guohui Li, 2016 .

Different Binding Modes of SARS-CoV-1 and SARS-CoV-2 Fusion Peptides to Cell Membranes: The Influence of Peptide Helix Length

Hujun Shen, Ling Chen, Zhenhua Wu, 2022, The journal of physical chemistry. B.

Effects of Fluorination and Molybdenum Codoping on Monoclinic BiVO4 Photocatalyst by HSE Calculations

Mingsen Deng, Jianwen Ding, Hujun Shen, 2022, ACS omega.

Coarse-Grained Modeling of Nucleic Acids Using Anisotropic Gay-Berne and Electric Multipole Potentials.

Guohui Li, Dinglin Zhang, Yan Li, 2016, Journal of chemical theory and computation.

Effect of Disulfide Bridge on the Binding of SARS-CoV-2 Fusion Peptide to Cell Membrane: A Coarse-Grained Study

Hujun Shen, Zhenhua Wu, 2022, ACS omega.

Folding mechanisms of Trefoil Knot proteins studied by molecular dynamics simulations and Go-model.

Guohui Li, Z. Xiu, Ting Fu, 2015, Advances in experimental medicine and biology.

Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations.

Guohui Li, Hujun Shen, 2014, Journal of chemical theory and computation.

N, S-Codoped Mesoporous Carbon Derived from Protic Salt for Oxygen Reduction Reaction

Shiguo Zhang, Zhengjian Chen, Xiaoyun Ma, 2017 .

Binding modes and interaction mechanism between different base pairs and methylene blue trihydrate: a quantum mechanics study.

Guohui Li, Huiying Chu, Hujun Shen, 2015, Advances in experimental medicine and biology.

Theoretical elucidation of the origin for assembly of the DAP12 dimer with only one NKG2C in the lipid membrane.

Guohui Li, Huiying Chu, Ting Fu, 2013, The journal of physical chemistry. B.

Molecular Dynamics Simulations of Ether- and Ester-Linked Phospholipid Bilayers: A Comparative Study of Water Models.

Chenyu Gao, Mingsen Deng, Hujun Shen, 2018, The journal of physical chemistry. B.

Extension of the CAVS model to the simulation of helical peptides in a membrane environment.

Hujun Shen, Zhenhua Wu, Chan Lu, 2021, Physical chemistry chemical physics : PCCP.

Interfacial Water Structure at Zwitterionic Membrane/Water Interface: The Importance of Interactions between Water and Lipid Carbonyl Groups

Xuefeng Zou, Hujun Shen, Zhenhua Wu, 2020, ACS omega.

Effect of Cholesterol on Membrane Dipole Potential: Atomistic and Coarse-Grained Molecular Dynamics Simulations.

Mingsen Deng, Hujun Shen, Jihua Zhang, 2018, Journal of chemical theory and computation.

Extension of CAVS coarse‐grained model to phospholipid membranes: The importance of electrostatics

Hujun Shen, Mingsen Deng, Yachao Zhang, 2017, J. Comput. Chem..

Coarse-Grained Model for Water Involving a Virtual Site.

Mingsen Deng, Hujun Shen, 2016, The journal of physical chemistry. B.

Chiral elasticity of DNA

S. Milner, C. Colina, Hujun Shen, 2012 .

Liposomal nanohybrid cerasomes for mitochondria-targeted drug delivery.

M. Tan, Xiao-jun Ma, Huihui Wang, 2015, Journal of materials chemistry. B.

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent.

Pengyu Y. Ren, Guohui Li, Johnny C. Wu, 2011, The Journal of chemical physics.

Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N.

Jun Jiang, Siwei Bi, Xijun Wang, 2021, Journal of the American Chemical Society.

Anisotropic Coarse-Grained Model for Proteins Based On Gay–Berne and Electric Multipole Potentials

Yan Li, Pengyu Ren, Guohui Li, 2014, Journal of chemical theory and computation.

A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics

Pengyu Ren, Guohui Li, Pengyu Y. Ren, 2012 .

Atom-Pair Catalysts Supported by N-Doped Graphene for Nitrogen Reduction Reaction: d-Band Center Based Descriptor.

Shaohong Cai, T. Deng, Jingdong Guo, 2020, The journal of physical chemistry letters.

Exploring the dynamics of four RNA-dependent RNA polymerases by a coarse-grained model.

C. Cameron, C. Colina, Hujun Shen, 2012, The journal of physical chemistry. B.

What Is the Role of Motif D in the Nucleotide Incorporation Catalyzed by the RNA-dependent RNA Polymerase from Poliovirus?

Hui Sun, Guohui Li, Hujun Shen, 2012, PLoS Comput. Biol..

Molecular Dynamics Simulations of Viral RNA Polymerases Link Conserved and Correlated Motions of Functional Elements to Fidelity

Coray M. Colina, C. Cameron, Hujun Shen, 2011, Journal of Molecular Biology.

Regulating the structure and morphology of nickel sulfides for electrochemical energy storage: The role of solvent pH

Xuefeng Zou, Wenpo Li, Shengtao Zhang, 2022, Chemical Engineering Journal.

Structural, transport, thermal, and electrochemical properties of (La1−xSrx)2CoO4±δ cathode in solid-oxide fuel cells

Fushao Li, Deqiang Zhao, Mingsen Deng, 2021, Journal of Applied Electrochemistry.

Observations on the JWKB treatment of the quadratic barrier

H. Silverstone, Hujun Shen, 2008 .

Toward Rational Design of Dual-Metal-Site Catalysts: Catalytic Descriptor Exploration

Jun Jiang, Xi-Yue Li, Hujun Shen, 2022, ACS Catalysis.

Fast and accurate computation schemes for evaluating vibrational entropy of proteins

Xiao Zhu, Guohui Li, Hujun Shen, 2011, J. Comput. Chem..

JWKB method as an exact technique

H. Silverstone, Hujun Shen, 2004 .

Theoretical studies on the folding mechanisms for different DNA G-quadruplexes.

Guohui Li, Z. Xiu, Ting Fu, 2015, Advances in experimental medicine and biology.

Effects of electrostatic interaction on the properties of ionic liquids correlated with the change of free volume.

Jong‐Min Lee, Zhengjian Chen, Hujun Shen, 2017, Physical chemistry chemical physics : PCCP.

Effects of native defects and cerium impurity on the monoclinic BiVO4 photocatalyst obtained via PBE+U calculations.

Mingsen Deng, Hujun Shen, Jihua Zhang, 2020, Physical chemistry chemical physics : PCCP.

Hybrid Density Functional Theory Study of Native Defects and Nonmetal (C, N, S, and P) Doping in a Bi2WO6 Photocatalyst

Mingsen Deng, Zhenzhen Feng, Hujun Shen, 2020, ACS omega.

An ultra-effective pathway for fully removing the oxygen components of graphene oxide by a flame-assisted microwave process.

Xuefeng Zou, B. Xiang, Qibing Wu, 2020, Dalton transactions.

Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field.

Adam Liwo, Hujun Shen, Cezary Czaplewski, 2008, Journal of chemical theory and computation.

An anisotropic coarse‐grained model based on Gay–Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model

Hujun Shen, Yan Li, Huiying Chu, 2015, J. Comput. Chem..

Effect of Cholesterol and 6-Ketocholestanol on Membrane Dipole Potential and Sterol Flip-Flop Motion in Bilayer Membranes.

Hengxi Yang, Mingsen Deng, Hujun Shen, 2019, Langmuir : the ACS journal of surfaces and colloids.

Exploring the proton conductance and drug resistance of BM2 channel through molecular dynamics simulations and free energy calculations at different pH conditions.

Guohui Li, Hujun Shen, Yuxin Zhang, 2013, The journal of physical chemistry. B.

Effects of Ether-Linkage on Membrane Dipole Potential and Cholesterol Flip-Flop Motion in Lipid Bilayer Membranes.

Hujun Shen, Zhenhua Wu, Kun Zhao, 2019, The journal of physical chemistry. B.

An intermittent microwave-exfoliated non-expansive graphite oxide process for highly-efficient production of high-quality graphene.

Xuefeng Zou, Y. Qiang, B. Xiang, 2020, Journal of colloid and interface science.

A bimodal MRI and NIR liposome nanoprobe for tumor targeted molecular imaging.

M. Tan, Xiao-jun Ma, Huihui Wang, 2015, Journal of materials chemistry. B.

Investigation binding patterns of human carboxylesterase I (hCES I) with broad substrates by MD simulations.

Huiying Chu, Hujun Shen, Guohui Li, 2013, Current Topics in Medicinal Chemistry.

A bimodal MRI and NIR liposome nanoprobe for tumor targeted molecular imaging.

M. Tan, Xiao-jun Ma, Huihui Wang, 2015, Journal of materials chemistry. B.

Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials

Guohui Li, Hujun Shen, P. Xu, 2013, Journal of Molecular Modeling.

ON THE BIDIRECTIONALITY OF THE JWKB CONNECTION FORMULA AT A LINEAR TURNING POINT

H. Silverstone, Hujun Shen, G. Álvarez, 2005 .