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

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

(2015) Jie Liu et al.   CHEMICAL ENGINEERING SCIENCE

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

(2015) Daohui Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mesoscopic Coarse-Grained Simulations of Lysozyme Adsorption

(2014) Gaobo Yu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2014) Chunwang Peng et al.   LANGMUIR

Ionic Liquid Confined in Nafion: Toward Molecular-Level Understanding

(2013) Delin Sun et al.   AICHE JOURNAL

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

(2013) Yun Xie et al.   BIOPHYSICAL CHEMISTRY

Caprylate as the albumin-selective modifier to improve IgG purification with hydrophobic charge-induction chromatography

(2013) Hong-Fei Tong et al.   JOURNAL OF CHROMATOGRAPHY A

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

(2013) Jie Liu et al.   LANGMUIR

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

(2013) Jiaqi Dong et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Molecular mechanism of hydrophobic charge-induction chromatography: Interactions between the immobilized 4-mercaptoethyl-pyridine ligand and IgG

(2012) Dong-Qiang Lin et al.   JOURNAL OF CHROMATOGRAPHY A

Enhancing IgG purification from serum albumin containing feedstock with hydrophobic charge-induction chromatography

(2012) Hong-Fei Tong et al.   JOURNAL OF CHROMATOGRAPHY A

Molecular Dynamics Simulation of Lysozyme Adsorption/Desorption on Hydrophobic Surfaces

(2012) Tao Wei et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Insight into the Ligand–IgG Interactions for 4-Mercaptoethyl-pyridine Based Hydrophobic Charge-Induction Chromatography

(2012) Dong-Qiang Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A New Coarse-Grained Force Field for Membrane–Peptide Simulations

(2011) Zhe Wu et al.   Journal of Chemical Theory and Computation

Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme

(2011) Lin Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Lysozyme Adsorption on Polyethylene Surfaces: Why Are Long Simulations Needed?

(2011) Tao Wei et al.   LANGMUIR

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

(2010) Tianping Zhong et al.   FLUID PHASE EQUILIBRIA

Salt-Promoted Adsorption of an Antibody onto Hydrophobic Charge-Induction Adsorbents

(2010) Hai-Feng Xia et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

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

(2010) Haijun Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces

(2010) Yun Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of Ligand Density on Hydrophobic Charge Induction Chromatography: Molecular Dynamics Simulation

(2010) Lin Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions

(2010) Zhe Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Surface Charge Distribution on the Adsorption Orientation of Proteins to Lipid Monolayers

(2010) Sebastian Tiemeyer et al.   LANGMUIR

Molecular dynamics simulation and experimental validation of the effect of pH on protein desorption in hydrophobic charge induction chromatography

(2010) Lin Zhang et al.   MOLECULAR SIMULATION

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

(2010) Semen O. Yesylevskyy et al.   PLoS Computational Biology

Molecular simulation of adsorption and its implications to protein chromatography: A review

(2009) Lin Zhang et al.   BIOCHEMICAL ENGINEERING JOURNAL

Molecular simulation of protein-surface interactions: Benefits, problems, solutions, and future directions (Review)

(2009) Robert A. Latour   Biointerphases

Ligands for mixed-mode protein chromatography: Principles, characteristics and design

(2009) Guofeng Zhao et al.   JOURNAL OF BIOTECHNOLOGY

Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition

(2009) Xavier Periole et al.   Journal of Chemical Theory and Computation

Molecular Insight into Protein Conformational Transition in Hydrophobic Charge Induction Chromatography: A Molecular Dynamics Simulation

(2009) Lin Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

Effects of ionic strength and mobile phase pH on the binding orientation of lysozyme on different ion-exchange adsorbents

(2008) Florian Dismer et al.   JOURNAL OF CHROMATOGRAPHY A

5-Aminoindole, a new ligand for hydrophobic charge induction chromatography

(2008) Guofeng Zhao et al.   JOURNAL OF CHROMATOGRAPHY A

Molecular Simulation Studies of Protein Interactions with Zwitterionic Phosphorylcholine Self-Assembled Monolayers in the Presence of Water

(2008) Yi He et al.   LANGMUIR

Comparison of standard and new generation hydrophobic interaction chromatography resins in the monoclonal antibody purification process

(2007) Jie Chen et al.   JOURNAL OF CHROMATOGRAPHY A