Permeation of polystyrene nanoparticles across model lipid bilayer membranes

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Permission to Enter Cell by Shape: Nanodisk vs Nanosphere

(2012) Yi Zhang et al.   ACS Applied Materials & Interfaces

Biomolecule Surface Patterning May Enhance Membrane Association

(2012) Sergey Pogodin et al.   ACS Nano

Molecular Simulation of Hydrophobin Adsorption at an Oil–Water Interface

(2012) David L. Cheung   LANGMUIR

Role of surface ligands in nanoparticle permeation through a model membrane: a coarse-grained molecular dynamics simulations study

(2012) Bo Song et al.   MOLECULAR PHYSICS

Effects of spherical fullerene nanoparticles on a dipalmitoyl phosphatidylcholine lipid monolayer: a coarse grain molecular dynamics approach

(2012) Chi-cheng Chiu et al.   Soft Matter

How stable are amphiphilic dendrimers at the liquid–liquid interface?

(2012) D. L. Cheung et al.   Soft Matter

Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles

(2011) Yong Zhang et al.   Journal of Chemical Theory and Computation

Structure and Phase Transformations of DPPC Lipid Bilayers in the Presence of Nanoparticles: Insights from Coarse-Grained Molecular Dynamics Simulations

(2011) J. P. Prates Ramalho et al.   LANGMUIR

Amphiphilic Silica Nanoparticles at the Decane−Water Interface: Insights from Atomistic Simulations

(2011) Heng Fan et al.   LANGMUIR

Receptor-Mediated Endocytosis of Nanoparticles of Various Shapes

(2011) Robert Vácha et al.   NANO LETTERS

Molecular understanding of receptor-mediated membrane responses to ligand-coated nanoparticles

(2011) Tongtao Yue et al.   Soft Matter

Simulation of Nanoparticle Permeation through a Lipid Membrane

(2010) Steven L. Fiedler et al.   BIOPHYSICAL JOURNAL

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Hydrophobic Gold Nanoparticle Self-Assembly with Phosphatidylcholine Lipid: Membrane-Loaded and Janus Vesicles

(2010) Michael R. Rasch et al.   NANO LETTERS

Particle and nanoparticle interactions with fibrinogen: the importance of aggregation in nanotoxicology

(2010) Michaela Kendall et al.   Nanotoxicology

Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

(2010) Giulia Rossi et al.   Soft Matter

Polyethyleneimine Coating Enhances the Cellular Uptake of Mesoporous Silica Nanoparticles and Allows Safe Delivery of siRNA and DNA Constructs

(2009) Tian Xia et al.   ACS Nano

Mechanisms of Alveolar Epithelial Translocation of a Defined Population of Nanoparticles

(2009) Nazanin R. Yacobi et al.   AMERICAN JOURNAL OF RESPIRATORY CELL AND MOLECULAR BIOLOGY

Mesostructured multifunctional nanoparticles for imaging and drug delivery

(2009) Monty Liong et al.   JOURNAL OF MATERIALS CHEMISTRY

Cryo-electron tomography of nanoparticle transmigration into liposome

(2009) Olivier Le Bihan et al.   JOURNAL OF STRUCTURAL BIOLOGY

Mechanised nanoparticles for drug delivery

(2009) Karla K. Cotí et al.   Nanoscale

The interaction of C60and its derivatives with a lipid bilayer via molecular dynamics simulations

(2009) Robert S G D’Rozario et al.   NANOTECHNOLOGY

Understanding biophysicochemical interactions at the nano–bio interface

(2009) Andre E. Nel et al.   NATURE MATERIALS

Interaction of Nanoparticles with Ideal Liquid-Liquid Interfaces

(2009) David L. Cheung et al.   PHYSICAL REVIEW LETTERS

Stability of Janus nanoparticles at fluid interfaces

(2009) David L. Cheung et al.   Soft Matter

Effects of carbon nanoparticles on lipid membranes: a molecular simulation perspective

(2009) Luca Monticelli et al.   Soft Matter

Molecular Dynamics Simulation Study of a Pulmonary Surfactant Film Interacting with a Carbonaceous Nanoparticle

(2008) Seungho Choe et al.   BIOPHYSICAL JOURNAL

Nanoparticle formation by crosslinking a macromolecule

(2008) J. W. Liu et al.   EPL

Computer simulations and thermodynamics of anisotropic nanoparticles at fluid interfaces

(2008) F. Bresme   EUROPEAN PHYSICAL JOURNAL B

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

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

Computational Investigation of Interaction between Nanoparticles and Membranes: Hydrophobic/Hydrophilic Effect

(2008) Yang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipid Bilayer Curvature and Pore Formation Induced by Charged Linear Polymers and Dendrimers: The Effect of Molecular Shape

(2008) Hwankyu Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Passive Transport of C60Fullerenes through a Lipid Membrane:  A Molecular Dynamics Simulation Study

(2008) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Blocking of Carbon Nanotube Based Nanoinjectors by Lipids: A Simulation Study

(2008) E. Jayne Wallace et al.   NANO LETTERS

Surface-structure-regulated cell-membrane penetration by monolayer-protected nanoparticles

(2008) Ayush Verma et al.   NATURE MATERIALS

Computer simulation study of fullerene translocation through lipid membranes

(2008) Jirasak Wong-Ekkabut et al.   Nature Nanotechnology

Nanoparticle-induced surface reconstruction of phospholipid membranes

(2008) B. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation