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  1. ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages

    Article • PLoS Computational Biology, July 2019, PLOS

    Professor Jian Zhou

  2. Computer simulations of the adsorption of an N-terminal peptide of statherin, SN15, and its mutants on hydroxyapatite surfaces

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Professor Jian Zhou

  3. Molecular mechanism of HIV-1 TAT peptide and its conjugated gold nanoparticles translocating across lipid membranes

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Professor Jian Zhou

  4. Unprecedented Wiring Efficiency of Sulfonated Graphitic Carbon Nitride Materials: Toward High-Performance Amperometric Recombinant CotA Laccase Biosensors

    Article • ACS Sustainable Chemistry & Engineering, December 2018, American Chemical Society (ACS)

    Professor Rajender S Varma, Professor Jian Zhou

  5. Homoporous polymer membrane via forced surface segregation: A computer simulation study

    Article • Chemical Engineering Science, December 2018, Elsevier

    Professor Jian Zhou

  6. Unusual Moisture-Enhanced CO2 Capture within Microporous PCN-250 Frameworks

    Article • ACS Applied Materials & Interfaces, October 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  7. Catechol and Its Derivatives Adhesion on Graphene: Insights from Molecular Dynamics Simulations

    Article • The Journal of Physical Chemistry C, October 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  8. Zwitterionic Membrane via Nonsolvent Induced Phase Separation: A Computer Simulation Study

    Article • Langmuir, August 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  9. Computer simulations of underwater oil adhesion of self-assembled monolayers on Au (111)

    Article • Molecular Simulation, July 2018, Taylor & Francis

    Professor Jian Zhou

  10. Bilirubin Oxidase Adsorption onto Charged Self-Assembled Monolayers: Insights from Multiscale Simulations

    Article • Langmuir, July 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  11. Electric-Field Effects on Ionic Hydration: A Molecular Dynamics Study

    Article • The Journal of Physical Chemistry, May 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  12. pH-Responsive Zwitterionic Copolymer DHA–PBLG–PCB for Targeted Drug Delivery: A Computer Simulation Study

    Article • Langmuir, May 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  13. Protein Translocation through a MoS2 Nanopore:A Molecular Dynamics Study

    Article • The Journal of Physical Chemistry C, January 2018, American Chemical Society (ACS)

    Professor Jian Zhou

  14. Computer Simulation of DNA Condensation by PAMAM Dendrimer

    Article • Macromolecular Theory and Simulations, January 2018, Wiley

    Professor Jian Zhou

  15. Hamiltonian replica exchange simulations of glucose oxidase adsorption on charged surfaces

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Professor Jian Zhou

  16. Understanding the Cellular Uptake of pH-Responsive Zwitterionic Gold Nanoparticles: A Computer Simulation Study

    Article • Langmuir, December 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  17. Molecular Understanding of Laccase Adsorption on Charged Self-Assembled Monolayers

    Article • The Journal of Physical Chemistry, November 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  18. The application of poly(methyl methacrylate-co-butyl acrylate-co-styrene) in reinforcing fragile papers: experiments and computer simulations

    Article • Cellulose, September 2017, Springer Science + Business Media

    Professor Jian Zhou

  19. Underwater Superoleophobicity of Pseudozwitterionic SAMs: Effects of Chain Length and Ionic Strength

    Article • The Journal of Physical Chemistry C, August 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  20. Mesoscopic Structures of Poly(carboxybetaine) Block Copolymer and Poly(ethylene glycol) Block Copolymer in Solutions

    Article • Langmuir, July 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  21. Solvent-responsiveness of PS–PEO binary mixed polymer brushes: a coarse-grained molecular dynamics study

    Article • Molecular Simulation, July 2017, Taylor & Francis

    Professor Jian Zhou

  22. Selective Adsorption of Light Alkanes on a Highly Robust Indium Based Metal–Organic Framework

    Article • Industrial & Engineering Chemistry Research, April 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  23. Highly Efficient Enzymatic Acylation of Dihydromyricetin by the Immobilized Lipase with Deep Eutectic Solvents as Cosolvent

    Article • Journal of Agricultural and Food Chemistry, March 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  24. Molecular Understanding on the Underwater Oleophobicity of Self-Assembled Monolayers: Zwitterionic versus Nonionic

    Article • Langmuir, February 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  25. Molecular Understanding of the Penetration of Functionalized Gold Nanoparticles into Asymmetric Membranes

    Article • Langmuir, January 2017, American Chemical Society (ACS)

    Professor Jian Zhou

  26. Catechol–cation adhesion on silica surfaces: molecular dynamics simulations

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Professor Jian Zhou

  27. Electrostatics-mediated α-chymotrypsin inhibition by functionalized single-walled carbon nanotubes

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Professor Jian Zhou

  28. Phase Behavior of an Amphiphilic Block Copolymer in Ionic Liquid: A Dissipative Particle Dynamics Study

    Article • Journal of Chemical & Engineering Data, December 2016, American Chemical Society (ACS)

    Professor Jian Zhou

  29. Hydrolysis-controlled protein adsorption and antifouling behaviors of mixed charged self-assembled monolayer: A molecular simulation study

    Article • Acta Biomaterialia, August 2016, Elsevier

    Professor Jian Zhou

  30. Molecular dynamics simulations of conformation changes of HIV-1 regulatory protein on graphene

    Article • Applied Surface Science, July 2016, Elsevier

    Professor Jian Zhou

  31. Chemical compositions and antibacterial activities of essential oils extracted from Alpinia guilinensis against selected foodborne pathogens

    Article • Industrial Crops and Products, May 2016, Elsevier

    Professor Jian Zhou

  32. Design of amine-functionalized metal–organic frameworks for CO2 separation: the more amine, the better?

    Article • Chemical Communications, January 2016, Royal Society of Chemistry

    Professor Jian Zhou

  33. High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO2/N2/CH4 mixture

    Article • Journal of Materials Chemistry A, January 2016, Royal Society of Chemistry

    Professor Jian Zhou

  34. Molecular simulations of cytochrome c adsorption on positively charged surfaces: the influence of anion type and concentration

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Jian Zhou

  35. Structural properties of polymer-brush-grafted gold nanoparticles at the oil–water interface: insights from coarse-grained simulations

    Article • Soft Matter, January 2016, Royal Society of Chemistry

    Professor Jian Zhou

  36. Understanding the curvature effect of silica nanoparticles on lysozyme adsorption orientation and conformation: a mesoscopic coarse-grained simulation study

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Jian Zhou

  37. Molecular Simulation Study of Feruloyl Esterase Adsorption on Charged Surfaces: Effects of Surface Charge Density and Ionic Strength

    Article • Langmuir, October 2015, American Chemical Society (ACS)

    Professor Jian Zhou

  38. Molecular Simulations of CytochromecAdsorption on a Bare Gold Surface: Insights for the Hindrance of Electron Transfer

    Article • The Journal of Physical Chemistry C, September 2015, American Chemical Society (ACS)

    Professor Jian Zhou

  39. Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification

    Article • AIChE Journal, April 2015, Wiley

    Professor Jian Zhou

  40. Lipase adsorption on different nanomaterials: a multi-scale simulation study

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Jian Zhou

  41. Polydopamine-based synthesis of a zeolite imidazolate framework ZIF-100 membrane with high H2/CO2 selectivity

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    Professor Jian Zhou

  42. Ribonuclease A adsorption onto charged self-assembled monolayers: A multiscale simulation study

    Article • Chemical Engineering Science, January 2015, Elsevier

    Professor Jian Zhou

  43. Probing carbon nanotube–amino acid interactions in aqueous solution with molecular dynamics simulations

    Article • Carbon, November 2014, Elsevier

    Professor Jian Zhou

  44. Adsorption of Hydrophobin on Different Self-Assembled Monolayers: The Role of the Hydrophobic Dipole and the Electric Dipole

    Article • Langmuir, September 2014, American Chemical Society (ACS)

    Professor Jian Zhou

  45. Replica-Exchange Molecular Dynamics Simulation of Basic Fibroblast Growth Factor Adsorption on Hydroxyapatite

    Article • The Journal of Physical Chemistry, June 2014, American Chemical Society (ACS)

    Professor Jian Zhou

  46. Interfacial and Phase Transfer Behaviors of Polymer Brush Grafted Amphiphilic Nanoparticles: A Computer Simulation Study

    Article • Langmuir, May 2014, American Chemical Society (ACS)

    Professor Jian Zhou

  47. Mesoscopic Coarse-Grained Simulations of Lysozyme Adsorption

    Article • The Journal of Physical Chemistry, May 2014, American Chemical Society (ACS)

    Professor Jian Zhou

  48. Advanced Monte Carlo simulations of the adsorption of chiral alcohols in a homochiral metal‐organic framework

    Article • AIChE Journal, March 2014, Wiley

    David Fairen-Jimenez, Professor Jian Zhou

  49. Computer simulations of fibronectin adsorption on hydroxyapatite surfaces

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Jian Zhou

  50. A mechanical nanogate based on a carbon nanotube for reversible control of ion conduction

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Dr Ben Corry, Professor Jian Zhou

  51. Computer Simulations of Fibronectin Adsorption on Graphene Modified Titanium Dioxide Surfaces

    Article • Acta Chimica Sinica, January 2014, Shanghai Institute of Organic Chemistry

    Professor Jian Zhou

  52. Designing new amine functionalized metal-organic frameworks for carbon dioxide/methane separation

    Article • Fluid Phase Equilibria, January 2014, Elsevier

    Professor Jian Zhou

  53. Effect of Topology of Hydrophobic Surfaces on Their Wetting States by Coarse-grained Simulations

    Article • Acta Chimica Sinica, January 2014, Shanghai Institute of Organic Chemistry

    Professor Jian Zhou

  54. Molecular simulations of myoglobin adsorbed on rutile (110) and (001) surfaces

    Article • Fluid Phase Equilibria, January 2014, Elsevier

    Professor Jian Zhou

  55. Bioinspired Graphene Nanopores with Voltage-Tunable Ion Selectivity for Na + and K +

    Article • ACS Nano, November 2013, American Chemical Society (ACS)

    Dr Ben Corry, Professor Jian Zhou

  56. Noble Gas Adsorption in Copper Trimesate, HKUST-1: An Experimental and Computational Study

    Article • The Journal of Physical Chemistry C, September 2013, American Chemical Society (ACS)

    David Fairen-Jimenez, Professor Jian Zhou, Dr Craig M Brown

  57. Multiscale Simulations of Protein G B1 Adsorbed on Charged Self-Assembled Monolayers

    Article • Langmuir, September 2013, American Chemical Society (ACS)

    Professor Jian Zhou

  58. Effects of external electric fields on lysozyme adsorption by molecular dynamics simulations

    Article • Biophysical Chemistry, September 2013, Elsevier

    Professor Jian Zhou

  59. Self-assembled core-shell and Janus microphase separated structures of polymer blends in aqueous solution

    Article • The Journal of Chemical Physics, August 2013, American Institute of Physics

    Professor Jian Zhou

  60. Ice-like Water Structure in Carbon Nanotube (8,8) Induces Cationic Hydration Enhancement

    Article • The Journal of Physical Chemistry C, May 2013, American Chemical Society (ACS)

    Dr Ben Corry, Professor Jian Zhou

  61. Molecular dynamics simulations on the melting of gold nanoparticles

    Article • Phase Transitions, May 2013, Taylor & Francis

    Professor Jian Zhou

  62. Molecular Simulation of Oxygen Sorption and Diffusion in the Poly (lactic acid)

    Article • Chinese Journal of Chemical Engineering, March 2013, Elsevier

    Professor Jian Zhou

  63. Ionic Liquid Confined in Nafion: Toward Molecular-Level Understanding

    Article • AIChE Journal, February 2013, Wiley

    Professor Jian Zhou

  64. Molecular simulations on nanoconfined water molecule behaviors for nanoporous material applications

    Article • Microfluidics and Nanofluidics, February 2013, Springer Science + Business Media

    Professor Jian Zhou

  65. Solvent-Responsive Behavior of Polymer-Brush-Modified Amphiphilic Gold Nanoparticles

    Article • Macromolecular Theory and Simulations, January 2013, Wiley

    Professor Jian Zhou

  66. Replica Exchange Molecular Dynamics Simulations on the Folding of Trpzip4 β-Hairpin

    Article • Acta Chimica Sinica, January 2013, Shanghai Institute of Organic Chemistry

    Professor Jian Zhou

  67. Effect of water content on microstructures and oxygen permeation in PSiMA–IPN–PMPC hydrogel: a molecular simulation study

    Article • Chemical Engineering Science, August 2012, Elsevier

    Professor Jian Zhou

  68. Molecular dynamics simulations of peptide adsorption on self-assembled monolayers

    Article • Applied Surface Science, August 2012, Elsevier

    Professor Jian Zhou

  69. Molecular Thin Films on Solid Surfaces: Mechanisms of Melting

    Article • Langmuir, May 2012, American Chemical Society (ACS)

    Professor Jian Zhou

  70. Computer Simulations on the Anticancer Drug Delivery System of Docetaxel and PLGA-PEG Copolymer

    Article • Acta Chimica Sinica, January 2012, Shanghai Institute of Organic Chemistry

    Professor Jian Zhou

  71. Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid

    Article • The Journal of Chemical Physics, October 2011, American Institute of Physics

    Professor Jian Zhou

  72. Diffusion of water molecules confined in slits of rutile TiO2(110) and graphite(0001)

    Article • Fluid Phase Equilibria, March 2011, Elsevier

    Professor Jian Zhou

  73. Molecular simulation on the separation of water/ethanol azeotropic mixture by poly(vinyl alcohol) membrane

    Article • Fluid Phase Equilibria, March 2011, Elsevier

    Professor Jian Zhou

  74. Preface

    Article • Fluid Phase Equilibria, March 2011, Elsevier

    Professor Jian Zhou

  75. Structures and properties of PAMAM dendrimer: A multi-scale simulation study

    Article • Fluid Phase Equilibria, March 2011, Elsevier

    Professor Jian Zhou

  76. Two-dimensional self-assembly of esters with different configurations at the liquid–solid interface

    Article • Applied Surface Science, March 2011, Elsevier

    Professor Jian Zhou

  77. Communication: Molecular dynamics simulations of the interfacial structure of alkali metal fluoride solutions

    Article • The Journal of Chemical Physics, August 2010, American Institute of Physics

    Professor Jian Zhou

  78. Influence of hydrogen bonds and double bonds on the alkane and alkene derivatives self-assembled monolayers on HOPG surface: STM observation and computer simulation

    Article • Applied Surface Science, May 2010, Elsevier

    Professor Jian Zhou

  79. Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces

    Article • The Journal of Chemical Physics, February 2010, American Institute of Physics

    Professor Jian Zhou

  80. Tuning the packing density of host molecular self-assemblies at the solid–liquid interface using guest molecule

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Professor Jian Zhou

  81. Anomalous Hydration Shell Order of Na + and K + inside Carbon Nanotubes

    Article • Nano Letters, March 2009, American Chemical Society (ACS)

    Professor Jian Zhou

  82. Peptide Folding Using Multiscale Coarse-Grained Models

    Article • The Journal of Physical Chemistry, October 2008, American Chemical Society (ACS)

    Professor Jian Zhou

  83. Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Professor Jian Zhou

  84. Molecular Dynamics Study on Diameter Effect in Structure of Ethanol Molecules Confined in Single-Walled Carbon Nanotubes†

    Article • The Journal of Physical Chemistry C, November 2007, American Chemical Society (ACS)

    Professor Jian Zhou

  85. Effect of composition on the formation of poly(dl-lactide) microspheres for drug delivery systems: Mesoscale simulations

    Article • Chemical Engineering Journal, July 2007, Elsevier

    Professor Jian Zhou

  86. Coarse-Grained Peptide Modeling Using a Systematic Multiscale Approach

    Article • Biophysical Journal, June 2007, Elsevier

    Professor Jian Zhou

  87. Unbinding of the streptavidin-biotin complex by atomic force microscopy: A hybrid simulation study

    Article • The Journal of Chemical Physics, September 2006, American Institute of Physics

    Professor Jian Zhou

  88. Molecular Simulation Studies of the Orientation and Conformation of Cytochrome c Adsorbed on Self-Assembled Monolayers

    Article • The Journal of Physical Chemistry, November 2004, American Chemical Society (ACS)

    Professor Jian Zhou

  89. Monte Carlo simulations of antibody adsorption and orientation on charged surfaces

    Article • The Journal of Chemical Physics, July 2004, American Institute of Physics

    Professor Jian Zhou

  90. Diameter and helicity effects on static properties of water molecules confined in carbon nanotubes

    Article • Physical Chemistry Chemical Physics, January 2004, Royal Society of Chemistry

    Professor Jian Zhou

  91. Controlling Antibody Orientation on Charged Self-Assembled Monolayers

    Article • Langmuir, April 2003, American Chemical Society (ACS)

    Professor Jian Zhou

  92. Orientation of Adsorbed Antibodies on Charged Surfaces by Computer Simulation Based on a United-Residue Model

    Article • Langmuir, April 2003, American Chemical Society (ACS)

    Professor Jian Zhou

  93. Orientation of a Y-shaped biomolecule adsorbed on a charged surface

    Article • July 2002, American Physical Society (APS)

    Professor Jian Zhou

  94. Molecular dynamics study on ionic hydration

    Article • Fluid Phase Equilibria, March 2002, Elsevier

    Professor Jian Zhou

  95. Prediction of diffusion coefficients for gas, liquid and supercritical fluid: application to pure real fluids and infinite dilute binary solutions based on the simulation of Lennard–Jones fluid

    Article • Fluid Phase Equilibria, March 2002, Elsevier

    Professor Jian Zhou

  96. Phase Behavior of Mixed Self-Assembled Monolayers of Alkanethiols on Au(111):  A Configurational-Bias Monte Carlo Simulation Study

    Article • Langmuir, November 2001, American Chemical Society (ACS)

    Professor Jian Zhou

  97. Adsorption and Diffusion of Supercritical Carbon Dioxide in Slit Pores

    Article • Langmuir, October 2000, American Chemical Society (ACS)

    Professor Jian Zhou

  98. Molecular dynamics investigation on the infinite dilute diffusion coefficients of organic compounds in supercritical carbon dioxide

    Article • Fluid Phase Equilibria, July 2000, Elsevier

    Professor Jian Zhou