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

Multifunctional clickable and protein-repellent magnetic silica nanoparticles

(2016) Diego Estupiñán et al.   Nanoscale

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

(2015) Gaobo Yu et al.   AICHE JOURNAL

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

(2015) Jie Liu et al.   CHEMICAL ENGINEERING SCIENCE

Counterion effects in protein nanoparticle electrostatic binding: A theoretical study

(2015) Goutam Ghosh   COLLOIDS AND SURFACES B-BIOINTERFACES

Role of Interfacial Water in Protein Adsorption onto Polymer Brushes as Studied by SFG Spectroscopy and QCM

(2015) Daiki Nagasawa et al.   Journal of Physical Chemistry C

Self-Assembled Monolayers of an Azobenzene Derivative on Silica and Their Interactions with Lysozyme

(2015) Tao Wei et al.   LANGMUIR

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

(2015) Jie Liu et al.   LANGMUIR

The biomolecular corona of nanoparticles in circulating biological media

(2015) D. Pozzi et al.   Nanoscale

Mapping protein binding sites on the biomolecular corona of nanoparticles

(2015) Philip M. Kelly et al.   Nature Nanotechnology

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

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

Lysozyme adsorption in pH-responsive hydrogel thin-films: the non-trivial role of acid–base equilibrium

(2015) Claudio F. Narambuena et al.   Soft Matter

Multiscale modeling of protein adsorption and transport in macroporous and polymer-grafted ion exchangers

(2014) Joseph E. Basconi et al.   AICHE JOURNAL

Mesoscopic Coarse-Grained Simulations of Lysozyme Adsorption

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

Size Dependent Surface Charge Properties of Silica Nanoparticles

(2014) Murat Barisik et al.   Journal of Physical Chemistry C

Enhanced Activity and Stability of Lysozyme by Immobilization in the Matching Nanochannels of Mesoporous Silica Nanoparticles

(2014) Kun-Che Kao et al.   Journal of Physical Chemistry C

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

(2014) Chunwang Peng et al.   LANGMUIR

Effect of nano-scale curvature on the intrinsic blood coagulation system

(2014) Takashi Kushida et al.   Nanoscale

The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations

(2014) Xiaotian Sun et al.   PLoS One

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

(2013) Albert Rimola et al.   CHEMICAL REVIEWS

Identifying Specific Protein Residues That Guide Surface Interactions and Orientation on Silica Nanoparticles

(2013) Siddhartha Shrivastava et al.   LANGMUIR

Protein–nanoparticle interactions: the effects of surface compositional and structural heterogeneity are scale dependent

(2013) Rixiang Huang et al.   Nanoscale

Bridging interactions of proteins with silica nanoparticles: The influence of pH, ionic strength and protein concentration

(2013) Bhuvnesh Bharti et al.   Soft Matter

Molecular Interaction of Proteins and Peptides with Nanoparticles

(2012) Anton A. Shemetov et al.   ACS Nano

The Effect of Nanoparticle Size, Shape, and Surface Chemistry on Biological Systems

(2012) Alexandre Albanese et al.   Annual Review of Biomedical Engineering

Counter ion induced irreversible denaturation of hen egg white lysozyme upon electrostatic interaction with iron oxide nanoparticles: A predicted model

(2012) Goutam Ghosh et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Adsorption of Proteins onto Ion-Exchange Chromatographic Media: A Molecular Dynamics Study

(2012) Juan Liang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Designing the nanoparticle–biomolecule interface for “targeting and therapeutic delivery”

(2012) Eugene Mahon et al.   JOURNAL OF CONTROLLED RELEASE

Effects of the Size, Shape, and Structural Transition of Thermosensitive Polypeptides on the Stability of Lipid Bilayers and Liposomes

(2012) Hwankyu Lee et al.   MACROMOLECULES

Position-Specific Chemical Modification and Quantitative Proteomics Disclose Protein Orientation Adsorbed on Silica Nanoparticles

(2012) Siddhartha Shrivastava et al.   NANO LETTERS

Biomolecular coronas provide the biological identity of nanosized materials

(2012) Marco P. Monopoli et al.   Nature Nanotechnology

Surfactant adsorption and aggregate structure at silica nanoparticles: Effects of particle size and surface modification

(2012) Bhuvnesh Bharti et al.   Soft Matter

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

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

Ordering Surfaces on the Nanoscale: Implications for Protein Adsorption

(2011) Andrew Hung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aggregation of Silica Nanoparticles Directed by Adsorption of Lysozyme

(2011) Bhuvnesh Bharti et al.   LANGMUIR

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

(2011) Tao Wei et al.   LANGMUIR

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

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

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

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

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

Molecular Dynamics Simulations of Hen Egg White Lysozyme Adsorption at a Charged Solid Surface

(2009) Karina Kubiak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse grain molecular dynamics simulation for the prediction of tertiary conformation of lysozyme adsorbed on silica surface

(2009) Xiaoyu Wu et al.   MOLECULAR SIMULATION

The MARTINI Coarse-Grained Force Field: Extension to Proteins

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

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Characterization of Secondary and Tertiary Conformational Changes of β-Lactoglobulin Adsorbed on Silica Nanoparticle Surfaces

(2008) Xiaoyu Wu et al.   LANGMUIR

Nanoparticle size and surface properties determine the protein corona with possible implications for biological impacts

(2008) M. Lundqvist et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA