Large scale molecular simulations of nanotoxicity

Binding Preference of Carbon Nanotube Over Proline-Rich Motif Ligand on SH3-Domain: A Comparison with Different Force Fields

(2013) Biyun Shi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interaction of Pristine and Functionalized Carbon Nanotubes with Lipid Membranes

(2013) Svetlana Baoukina et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational and Experimental Characterizations of Silver Nanoparticle–Apolipoprotein Biocorona

(2013) Rongzhong Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Revealing the Binding Structure of the Protein Corona on Gold Nanorods Using Synchrotron Radiation-Based Techniques: Understanding the Reduced Damage in Cell Membranes

(2013) Liming Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Topography Effects in Protein Adsorption on Nanostructured Carbon Allotropes

(2013) Giuseppina Raffaini et al.   LANGMUIR

Surface chemistry of gold nanorods: origin of cell membrane damage and cytotoxicity

(2013) Liming Wang et al.   Nanoscale

Direct observation of a single nanoparticle–ubiquitin corona formation

(2013) Feng Ding et al.   Nanoscale

Destructive extraction of phospholipids from Escherichia coli membranes by graphene nanosheets

(2013) Yusong Tu et al.   Nature Nanotechnology

A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster

(2013) Jon M. Azpiroz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube

(2012) Kanagasabai Balamurugan et al.   BIOPOLYMERS

Silica-based nanoparticles for biomedical applications

(2012) Ahmad Bitar et al.   DRUG DISCOVERY TODAY

Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations

(2012) Zaixing Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular mechanism of pancreatic tumor metastasis inhibition by Gd@C82(OH)22 and its implication for de novo design of nanomedicine

(2012) S.-g. Kang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Non-destructive Inhibition of Metallofullerenol Gd@C82(OH)22 on WW domain: Implication on Signal Transduction Pathway

(2012) Seung-gu Kang et al.   Scientific Reports

Effect of Nanoparticles on the Cell Life Cycle

(2011) Morteza Mahmoudi et al.   CHEMICAL REVIEWS

Toxicity of nanomaterials

(2011) Shahriar Sharifi et al.   CHEMICAL SOCIETY REVIEWS

Gold nanoparticles in biomedical applications: recent advances and perspectives

(2011) Lev Dykman et al.   CHEMICAL SOCIETY REVIEWS

Protein stability at a carbon nanotube interface

(2011) S. Vaitheeswaran et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic-Level Study of Adsorption, Conformational Change, and Dimerization of an α-Helical Peptide at Graphene Surface

(2011) Luchun Ou et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Curvature on the α-Helix Breaking Tendency of Carbon Based Nanomaterials

(2011) K. Balamurugan et al.   Journal of Physical Chemistry C

Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity

(2011) Guanghong Zuo et al.   Journal of Physical Chemistry C

Adsorption of collagen onto single walled carbon nanotubes: a molecular dynamics investigation

(2011) Ravimohan Gopalakrishnan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Binding of blood proteins to carbon nanotubes reduces cytotoxicity

(2011) C. Ge et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Plant nanotoxicology

(2011) Karl-Josef Dietz et al.   TRENDS IN PLANT SCIENCE

Functionalized Gold Nanoparticles and Their Biomedical Applications

(2011) Pooja Tiwari et al.   Nanomaterials

Can a Carbon Nanotube Pierce through a Phospholipid Bilayer?

(2010) Sergey Pogodin et al.   ACS Nano

Graphene-Based Antibacterial Paper

(2010) Wenbing Hu et al.   ACS Nano

Silver nanoparticle applications and human health

(2010) Maqusood Ahamed et al.   CLINICA CHIMICA ACTA

Antibacterial Activity of Nanosilver Ions and Particles

(2010) Georgios A. Sotiriou et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

(2010) K. Balamurugan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Investigation of the influence of surface defects on peptide adsorption onto carbon nanotubes

(2010) T. R. Walsh et al.   Molecular BioSystems

Functionalisation of nanoparticles for biomedical applications

(2010) Nguyen T.K. Thanh et al.   Nano Today

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

Effects of nanomaterial physicochemical properties on in vivo toxicity

(2009) Kristin L. Aillon et al.   ADVANCED DRUG DELIVERY REVIEWS

Graphene: The New Two-Dimensional Nanomaterial

(2009) C. N. R. Rao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Modeling the Binding Affinity of Peptides for Graphitic Surfaces. Influences of Aromatic Content and Interfacial Shape

(2009) Susana M. Tomásio et al.   Journal of Physical Chemistry C

Molecular-Level Evidence of the Surface-Induced Transformation of Peptide Structures Revealed by Scanning Tunneling Microscopy

(2009) Xiaobo Mao et al.   LANGMUIR

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

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

(2008) Xinghua Shi et al.   ACTA MECHANICA SINICA

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

(2008) Siewert J. Marrink et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

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

(2008) Jia-Wei Shen et al.   BIOMATERIALS

Antifungal activity and mode of action of silver nano-particles on Candida albicans

(2008) Keuk-Jun Kim et al.   BIOMETALS

Dynamic Mechanism of Collagen-like Peptide Encapsulated into Carbon Nanotubes

(2008) Yu Kang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protein-nanoparticle interactions

(2008) Iseult Lynch et al.   Nano Today

The toxicological impact of nanoparticles

(2008) Roberta Brayner   Nano Today

Computer simulation study of fullerene translocation through lipid membranes

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

Mechanisms of pulmonary toxicity and medical applications of carbon nanotubes: Two faces of Janus?

(2008) A.A. Shvedova et al.   PHARMACOLOGY & THERAPEUTICS

Nanotechnology, nanotoxicology, and neuroscience

(2008) Won Hyuk Suh et al.   PROGRESS IN NEUROBIOLOGY