Nanomaterials in biological environment: a review of computer modelling studies

Molecular Dynamics Study of a Carbon Nanotube Binding Reversible Cyclic Peptide

(2010) Chi-cheng Chiu et al.   ACS Nano

Penetration of Lipid Membranes by Gold Nanoparticles: Insights into Cellular Uptake, Cytotoxicity, and Their Relationship

(2010) Jiaqi Lin et al.   ACS Nano

Molecular Dynamics Simulation on Stability of Insulin on Graphene

(2010) Li-jun Liang et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Development of Nanoparticles for Antimicrobial Drug Delivery

(2010) L. Zhang et al.   CURRENT MEDICINAL CHEMISTRY

Drug delivery and nanoparticles: Applications and hazards

(2010) de Jong   International Journal of Nanomedicine

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

(2010) Ron O. Dror et al.   JOURNAL OF GENERAL PHYSIOLOGY

Thermodynamics of Charged Nanoparticle Adsorption on Charge-Neutral Membranes: A Simulation Study

(2010) Yang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computer simulation of the translocation of nanoparticles with different shapes across a lipid bilayer

(2010) Kai Yang et al.   Nature Nanotechnology

Sandwiched Graphene−Membrane Superstructures

(2009) Alexey V. Titov et al.   ACS Nano

Aqueous Stabilization and Self-Assembly of Graphene Sheets into Layered Bio-Nanocomposites using DNA

(2009) Avinash J. Patil et al.   ADVANCED MATERIALS

Direct Electrochemistry of Glucose Oxidase and Biosensing for Glucose Based on Graphene

(2009) Changsheng Shan et al.   ANALYTICAL CHEMISTRY

DNA functionalized gold nanoparticles for bioanalysis

(2009) Yang-Wei Lin et al.   Analytical Methods

Rapid Synthesis of DNA-Functionalized Gold Nanoparticles in Salt Solution Using Mononucleotide-Mediated Conjugation

(2009) Wenting Zhao et al.   BIOCONJUGATE CHEMISTRY

Interaction of Nanoparticles with Cells

(2009) Volker Mailänder et al.   BIOMACROMOLECULES

Role of peptide-peptide interactions in stabilizing peptide-wrapped single-walled carbon nanotubes: A molecular dynamics study

(2009) Chi-cheng Chiu et al.   BIOPOLYMERS

Size-dependent hydrophobic to hydrophilic transition for nanoparticles: A molecular dynamics study

(2009) Chi-cheng Chiu et al.   JOURNAL OF CHEMICAL PHYSICS

Energetics investigation on encapsulation of protein/peptide drugs in carbon nanotubes

(2009) Qu Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Binding free energy calculation of peptides to carbon nanotubes using molecular dynamics with a linear interaction energy approach

(2009) Anahita Kyani et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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

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

Interaction between DNAs on a Gold Surface

(2009) One-Sun Lee et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation of DNA-Functionalized Gold Nanoparticles

(2009) One-Sun Lee et al.   Journal of Physical Chemistry C

Electrostatic Interactions Affect Nanoparticle-Mediated Toxicity to Gram-Negative BacteriumPseudomonas aeruginosaPAO1

(2009) Kevin Feris et al.   LANGMUIR

Relevance of Biophysical Interactions of Nanoparticles with a Model Membrane in Predicting Cellular Uptake: Study with TAT Peptide-Conjugated Nanoparticles

(2009) Chiranjeevi Peetla et al.   MOLECULAR PHARMACEUTICS

Free Energy Landscape of a DNA−Carbon Nanotube Hybrid Using Replica Exchange Molecular Dynamics

(2009) Robert R. Johnson et al.   NANO LETTERS

Electrolyte-Gated Graphene Field-Effect Transistors for Detecting pH and Protein Adsorption

(2009) Yasuhide Ohno et al.   NANO LETTERS

Molecular dynamics study of dipalmitoylphosphatidylcholine lipid layer self-assembly onto a single-walled carbon nanotube

(2009) Hongming Wang et al.   Nano Research

Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations

(2009) S. R. Friling 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

Nanosized zinc oxide particles induce neural stem cell apoptosis

(2009) Xiaoyong Deng et al.   NANOTECHNOLOGY

The effect of nanometre-scale structure on interfacial energy

(2009) Jeffrey J. Kuna et al.   NATURE MATERIALS

Modeling nanoparticle embedded organic memory devices

(2009) H. Houili et al.   ORGANIC ELECTRONICS

Site-directed nanoparticle labeling of cytochrome c

(2009) M.-E. Aubin-Tam et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Identification of two distinct inactive conformations of the  2-adrenergic receptor reconciles structural and biochemical observations

(2009) R. O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Effect of Surface Properties on Nanoparticle–Cell Interactions

(2009) Ayush Verma et al.   Small

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

(2009) Luca Monticelli et al.   Soft Matter

Imaging applications of nanotechnology in cancer

(2009) U. Ayanthi Gunasekera et al.   Targeted Oncology

A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation

(2009) Stefan Auer et al.   PLoS Computational Biology

Harnessing Janus Nanoparticles to Create Controllable Pores in Membranes

(2008) Alexander Alexeev et al.   ACS Nano

Coarse grained molecular dynamics and theoretical studies of carbon nanotubes entering cell membrane

(2008) Xinghua Shi et al.   ACTA MECHANICA SINICA

Induced stepwise conformational change of human serum albumin on carbon nanotube surfaces

(2008) Jia-Wei Shen et al.   BIOMATERIALS

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

(2008) Seungho Choe et al.   BIOPHYSICAL JOURNAL

Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes

(2008) Chun-I Chang et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics study on DNA oligonucleotide translocation through carbon nanotubes

(2008) Q. X. Pei et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a Lipid Bilayer†

(2008) Hyonseok Hwang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Systematic Comparison of Empirical Forcefields for Molecular Dynamic Simulation of Insulin

(2008) Nevena Todorova et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure

(2008) Dahlia R. Weiss et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulation Study of Noncovalent Hybridization of Carbon Nanotubes by Single-Stranded DNA in Water†

(2008) Willis Martin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Study of a Nanotube-Binding Amphiphilic Helical Peptide at Different Water/Hydrophobic Interfaces

(2008) Chi-cheng Chiu 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

Diffusion of Nanoparticles in Monolayers is Modulated by Domain Size

(2008) Florian Rückerl et al.   LANGMUIR

New Insights on Growth Mechanisms of Protein Clusters at Surfaces: an AFM and Simulation Study

(2008) D. Pellenc et al.   LANGMUIR

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

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

Carbon nanotube self-assembly with lipids and detergent: a molecular dynamics study

(2008) E Jayne Wallace et al.   NANOTECHNOLOGY

Preferential killing of cancer cells and activated human T cells using ZnO nanoparticles

(2008) Cory Hanley et al.   NANOTECHNOLOGY

Computer simulation study of fullerene translocation through lipid membranes

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

Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces

(2007) Jia-Wei Shen et al.   BIOMATERIALS

Probing the Structure of DNA−Carbon Nanotube Hybrids with Molecular Dynamics

(2007) Robert R. Johnson et al.   NANO LETTERS

Cytotoxicity of Nanoparticles

(2007) Nastassja Lewinski et al.   Small