Computational approaches to cell–nanomaterial interactions: keeping balance between therapeutic efficiency and cytotoxicity

A non-equilibrium thermodynamic model for tumor extracellular matrix with enzymatic degradation

(2017) Shi-Lei Xue et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Can dual-ligand targeting enhance cellular uptake of nanoparticles?

(2017) Qiang-sheng Xia et al.   Nanoscale

Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control

(2017) Hadi Ramezani-Dakhel et al.   Nanoscale

Optimal multivalent targeting of membranes with many distinct receptors

(2017) Tine Curk et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mild Binding of Protein to C2N Monolayer Reveals Its Suitable Biocompatibility

(2017) Baoyu Li et al.   Small

Cellular Internalization of Rod-Like Nanoparticles with Various Surface Patterns: Novel Entry Pathway and Controllable Uptake Capacity

(2017) Jiaxiao Xue et al.   Small

Multifunctional Hybrid Nanoparticles for Traceable Drug Delivery and Intracellular Microenvironment-Controlled Multistage Drug-Release in Neurons

(2017) Bingyang Shi et al.   Small

Nanoparticle decoration with surfactants: Molecular interactions, assembly, and applications

(2017) Hendrik Heinz et al.   SURFACE SCIENCE REPORTS

Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study

(2017) Rakesh Gupta et al.   Scientific Reports

Receptor-Mediated Endocytosis of Two-Dimensional Nanomaterials Undergoes Flat Vesiculation and Occurs by Revolution and Self-Rotation

(2016) Jian Mao et al.   ACS Nano

Facilitating the Clinical Integration of Nanomedicines: The Roles of Theoretical and Computational Scientists

(2016) Paolo Decuzzi   ACS Nano

Regulation of Macrophage Recognition through the Interplay of Nanoparticle Surface Functionality and Protein Corona

(2016) Krishnendu Saha et al.   ACS Nano

Nanochemistry and Nanomedicine for Nanoparticle-based Diagnostics and Therapy

(2016) Guanying Chen et al.   CHEMICAL REVIEWS

Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities

(2016) Hendrik Heinz et al.   CHEMICAL SOCIETY REVIEWS

Free Energy of Bare and Capped Gold Nanoparticles Permeating through a Lipid Bilayer

(2016) Anil R. Mhashal et al.   CHEMPHYSCHEM

Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response

(2016) Nadiya Dragneva et al.   Journal of Chemical Information and Modeling

Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces

(2016) Tzu-Jen Lin et al.   Journal of Physical Chemistry C

Unzipping of Double-Stranded Ribonucleic Acids by Graphene and Single-Walled Carbon Nanotube: Helix Geometry versus Surface Curvature

(2016) Soumadwip Ghosh et al.   Journal of Physical Chemistry C

The Configuration of Copolymer Ligands on Nanoparticles Affects Adhesion and Uptake

(2016) Yang Liu et al.   LANGMUIR

Interactions of Polyethylenimines with Zwitterionic and Anionic Lipid Membranes

(2016) Urszula Kwolek et al.   LANGMUIR

Simulated Permeation and Characterization of PEGylated Gold Nanoparticles in a Lipid Bilayer System

(2016) Priyanka A. Oroskar et al.   LANGMUIR

Incorporation of Soft Particles into Lipid Vesicles: Effects of Particle Size and Elasticity

(2016) Xin Yi et al.   LANGMUIR

pH-Sensitive Vesicles Formed by Amphiphilic Grafted Copolymers with Tunable Membrane Permeability for Drug Loading/Release: A Multiscale Simulation Study

(2016) Zhonglin Luo et al.   MACROMOLECULES

Emerging understanding of the protein corona at the nano-bio interfaces

(2016) Morteza Mahmoudi et al.   Nano Today

MD simulation study of direct permeation of a nanoparticle across the cell membrane under an external electric field

(2016) Kenta Shimizu et al.   Nanoscale

Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures

(2016) Asis K. Jana et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

In situ characterization of nanoparticle biomolecular interactions in complex biological media by flow cytometry

(2016) Maria Cristina Lo Giudice et al.   Nature Communications

Design strategy of surface decoration for efficient delivery of nanoparticles by computer simulation

(2016) Hong-ming Ding et al.   Scientific Reports

Robust Denaturation of Villin Headpiece by MoS2 Nanosheet: Potential Molecular Origin of the Nanotoxicity

(2016) Zonglin Gu et al.   Scientific Reports

Graphene Can Wreak Havoc with Cell Membranes

(2015) Marco Dallavalle et al.   ACS Applied Materials & Interfaces

Mesoscale Simulations and Experimental Studies of pH-Sensitive Micelles for Controlled Drug Delivery

(2015) Yan Wang et al.   ACS Applied Materials & Interfaces

Probing the Influence of Citrate-Capped Gold Nanoparticles on an Amyloidogenic Protein

(2015) Giorgia Brancolini et al.   ACS Nano

Blocking the Passage: C60 Geometrically Clogs K+ Channels

(2015) Matteo Calvaresi et al.   ACS Nano

The One Year Fate of Iron Oxide Coated Gold Nanoparticles in Mice

(2015) Jelena Kolosnjaj-Tabi et al.   ACS Nano

Reduced Cytotoxicity of Graphene Nanosheets Mediated by Blood-Protein Coating

(2015) Yu Chong et al.   ACS Nano

Accelerating the Translation of Nanomaterials in Biomedicine

(2015) Samir Mitragotri et al.   ACS Nano

Physical Principles of Nanoparticle Cellular Endocytosis

(2015) Sulin Zhang et al.   ACS Nano

Molecular Mechanism of Specific Recognition of Cubic Pt Nanocrystals by Peptides and of the Concentration-Dependent Formation from Seed Crystals

(2015) Hadi Ramezani-Dakhel et al.   ADVANCED FUNCTIONAL MATERIALS

Acylsulfonamide-Functionalized Zwitterionic Gold Nanoparticles for Enhanced Cellular Uptake at Tumor pH

(2015) Tsukasa Mizuhara et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

(Intra)Cellular Stability of Inorganic Nanoparticles: Effects on Cytotoxicity, Particle Functionality, and Biomedical Applications

(2015) Stefaan J. Soenen et al.   CHEMICAL REVIEWS

Nucleic acid aptamers in cancer research, diagnosis and therapy

(2015) Haitao Ma et al.   CHEMICAL SOCIETY REVIEWS

The nanoparticle biomolecule corona: lessons learned – challenge accepted?

(2015) D. Docter et al.   CHEMICAL SOCIETY REVIEWS

Novel Lipid and Polymeric Materials as Delivery Systems for Nucleic Acid Based Drugs

(2015) Anna Barba et al.   CURRENT DRUG METABOLISM

Atomistic Simulations of Coating of Silver Nanoparticles with Poly(vinylpyrrolidone) Oligomers: Effect of Oligomer Chain Length

(2015) Alexander Kyrychenko et al.   Journal of Physical Chemistry C

Adsorption Orientation and Binding Motifs of Lysozyme and Chymotrypsin on Amorphous Silica

(2015) Nils Hildebrand et al.   Journal of Physical Chemistry C

Comparative Dynamics and Sequence Dependence of DNA and RNA Binding to Single Walled Carbon Nanotubes

(2015) Markita P. Landry et al.   Journal of Physical Chemistry C

Surface-Functionalized Nanoparticle Permeation Triggers Lipid Displacement and Water and Ion Leakage

(2015) Priyanka A. Oroskar et al.   LANGMUIR

Cell interaction with graphene microsheets: near-orthogonal cutting versus parallel attachment

(2015) Xin Yi et al.   Nanoscale

Protein corona mitigates the cytotoxicity of graphene oxide by reducing its physical interaction with cell membrane

(2015) Guangxin Duan et al.   Nanoscale

Principles of nanoparticle design for overcoming biological barriers to drug delivery

(2015) Elvin Blanco et al.   NATURE BIOTECHNOLOGY

Mapping protein binding sites on the biomolecular corona of nanoparticles

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

Aβ self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response

(2015) Asis K. Jana et al.   Soft Matter

Influence of ligand distribution on uptake efficiency

(2015) Veronika Schubertová et al.   Soft Matter

Interaction of P-glycoprotein with anti-tumor drugs: the site, gate and pathway

(2015) Junqiao Zhang et al.   Soft Matter

Molecular modeling of membrane responses to the adsorption of rotating nanoparticles: promoted cell uptake and mechanical membrane rupture

(2015) Tongtao Yue et al.   Soft Matter

Gd-metallofullerenol nanomaterial as non-toxic breast cancer stem cell-specific inhibitor

(2015) Ying Liu et al.   Nature Communications

Potential Toxicity of Graphene to Cell Functions via Disrupting Protein–Protein Interactions

(2014) Binquan Luan et al.   ACS Nano

Tunable Rigidity of (Polymeric Core)-(Lipid Shell) Nanoparticles for Regulated Cellular Uptake

(2014) Jiashu Sun et al.   ADVANCED MATERIALS

Molecular Understanding and Design of Zwitterionic Materials

(2014) Qing Shao et al.   ADVANCED MATERIALS

Wrapping of nanoparticles by membranes

(2014) Amir H. Bahrami et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Forming Buried Junctions to Enhance the Photovoltage Generated by Cuprous Oxide in Aqueous Solutions

(2014) Pengcheng Dai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computer simulation of the role of protein corona in cellular delivery of nanoparticles

(2014) Hong-ming Ding et al.   BIOMATERIALS

Molecular modeling of polynucleotide complexes

(2014) Deniz Meneksedag-Erol et al.   BIOMATERIALS

Chemical Basis of Interactions Between Engineered Nanoparticles and Biological Systems

(2014) Qingxin Mu et al.   CHEMICAL REVIEWS

Functional Nanomaterials for Phototherapies of Cancer

(2014) Liang Cheng et al.   CHEMICAL REVIEWS

Perturbation of physiological systems by nanoparticles

(2014) Yi Zhang et al.   CHEMICAL SOCIETY REVIEWS

Comparative Study of Materials-Binding Peptide Interactions with Gold and Silver Surfaces and Nanostructures: A Thermodynamic Basis for Biological Selectivity of Inorganic Materials

(2014) J. Pablo Palafox-Hernandez et al.   CHEMISTRY OF MATERIALS

Prediction of Specific Biomolecule Adsorption on Silica Surfaces as a Function of pH and Particle Size

(2014) Fateme S. Emami et al.   CHEMISTRY OF MATERIALS

Molecular Mechanism of Selective Binding of Peptides to Silicon Surface

(2014) Sathish Kumar Ramakrishnan et al.   Journal of Chemical Information and Modeling

Controlling water flow inside carbon nanotube with lipid membranes

(2014) Jia-Wei Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Membrane-Embedded Nanoparticles Induce Lipid Rearrangements Similar to Those Exhibited by Biological Membrane Proteins

(2014) Reid C. Van Lehn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulations of the adsorption of DNA segments onto graphene oxide

(2014) Junlang Chen et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Surface properties of encapsulating hydrophobic nanoparticles regulate the main phase transition temperature of lipid bilayers: A simulation study

(2014) Xubo Lin et al.   Nano Research

Guiding principles in the design of ligand-targeted nanomedicines

(2014) Bingbing Wang et al.   Nanomedicine

pH-sensitive polymeric nanoparticles for tumor-targeting doxorubicin delivery: concept and recent advances

(2014) Fenghua Meng et al.   Nanomedicine

Short- and long-term distribution and toxicity of gold nanoparticles in the rat after a single-dose intravenous administration

(2014) Sónia Fraga et al.   Nanomedicine-Nanotechnology Biology and Medicine

Size-dependent impact of CNTs on dynamic properties of calmodulin

(2014) Jian Gao et al.   Nanoscale

Can small hydrophobic gold nanoparticles inhibit β2-microglobulin fibrillation?

(2014) Giorgia Brancolini et al.   Nanoscale

Smart hybrid materials by conjugation of responsive polymers to biomacromolecules

(2014) Isidro Cobo et al.   NATURE MATERIALS

Effect of Gold Nanoparticle on Structure and Fluidity of Lipid Membrane

(2014) Anil R. Mhashal et al.   PLoS One

Zwitterionic-Coated “Stealth” Nanoparticles for Biomedical Applications: Recent Advances in Countering Biomolecular Corona Formation and Uptake by the Mononuclear Phagocyte System

(2014) Karina Pombo García et al.   Small

Long-Term Effects of Nanoparticles on Nutrition and Metabolism

(2014) Nan Chen et al.   Small

Theoretical and Computational Investigations of Nanoparticle-Biomembrane Interactions in Cellular Delivery

(2014) Hong-ming Ding et al.   Small

A fluorinated dendrimer achieves excellent gene transfection efficacy at extremely low nitrogen to phosphorus ratios

(2014) Mingming Wang et al.   Nature Communications

Computational investigation of the influence of chain length on the shielding effect of PEGylated nanoparticles

(2014) Yang Li et al.   RSC Advances

Environmental Health and Safety Considerations for Nanotechnology

(2013) Andre Nel et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Role of Surface Functionality in Determining Nanoparticle Cytotoxicity

(2013) Sung Tae Kim et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Multi-Stakeholder Perspective on the Use of Alternative Test Strategies for Nanomaterial Safety Assessment

(2013) Andre E. Nel et al.   ACS Nano

Molecular modeling in structural nano-toxicology: Interactions of nano-particles with nano-machinery of cells

(2013) Naveena Yanamala et al.   ADVANCED DRUG DELIVERY REVIEWS

Endocytic pH-Triggered Degradation of Nanoengineered Multilayer Capsules

(2013) Kang Liang et al.   ADVANCED MATERIALS

Dual Surface-Functionalized Janus Nanocomposites of Polystyrene/Fe3O4@SiO2for Simultaneous Tumor Cell Targeting and Stimulus-Induced Drug Release

(2013) Feng Wang et al.   ADVANCED MATERIALS

Smart Drug Delivery Nanocarriers with Self-Assembled DNA Nanostructures

(2013) Jiang Li et al.   ADVANCED MATERIALS

Multi-Resolution Simulation of Biomolecular Systems: A Review of Methodological Issues

(2013) Katharina Meier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Coarse-Graining Methods for Computational Biology

(2013) Marissa G. Saunders et al.   Annual Review of Biophysics

Design maps for cellular uptake of gene nanovectors by computer simulation

(2013) Hong-ming Ding et al.   BIOMATERIALS

A molecular dynamics simulation study on the effect of lipid substitution on polyethylenimine mediated siRNA complexation

(2013) Chongbo Sun et al.   BIOMATERIALS

Hypoxia-responsive polymeric nanoparticles for tumor-targeted drug delivery

(2013) Thavasyappan Thambi et al.   BIOMATERIALS

Surface induced collapse of Aβ1-42 with the F19A replacement following adsorption on a single walled carbon nanotube

(2013) Asis K. Jana et al.   BIOPHYSICAL CHEMISTRY

Photo-responsive block copolymer micelles: design and behavior

(2013) Jean-François Gohy et al.   CHEMICAL SOCIETY REVIEWS

Functional nanoprobes for ultrasensitive detection of biomolecules: an update

(2013) Jing-Juan Xu et al.   CHEMICAL SOCIETY REVIEWS

GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)

(2013) Louise B. Wright et al.   Journal of Chemical Theory and Computation

Graphene-based nanomaterials for drug delivery and tissue engineering

(2013) Sumit Goenka et al.   JOURNAL OF CONTROLLED RELEASE

The effect of dual ligand-targeted micelles on the delivery and efficacy of poorly soluble drug for cancer therapy

(2013) Rupa R. Sawant et al.   JOURNAL OF DRUG TARGETING

Controlling the Fate of Protein Corona by Tuning Surface Properties of Nanoparticles

(2013) Syamantak Khan et al.   Journal of Physical Chemistry Letters

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

Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

(2013) Hendrik Heinz et al.   LANGMUIR

Triggered nanoparticles as therapeutics

(2013) Chang Soo Kim et al.   Nano Today

Advances in the understanding of nanomaterial–biomembrane interactions and their mathematical and numerical modeling

(2013) Zhi Guo Qu et al.   Nanomedicine

A vesicle cell under collision with a Janus or homogeneous nanoparticle: translocation dynamics and late-stage morphology

(2013) Noriyoshi Arai et al.   Nanoscale

Direct observation of a single nanoparticle–ubiquitin corona formation

(2013) Feng Ding et al.   Nanoscale

Stimuli-responsive nanocarriers for drug delivery

(2013) Simona Mura et al.   NATURE MATERIALS

Delivery materials for siRNA therapeutics

(2013) Rosemary Kanasty et al.   NATURE MATERIALS

Transferrin-functionalized nanoparticles lose their targeting capabilities when a biomolecule corona adsorbs on the surface

(2013) Anna Salvati et al.   Nature Nanotechnology

Destructive extraction of phospholipids from Escherichia coli membranes by graphene nanosheets

(2013) Yusong Tu et al.   Nature Nanotechnology

Graphene microsheets enter cells through spontaneous membrane penetration at edge asperities and corner sites

(2013) Y. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Surface Coating-Dependent Cytotoxicity and Degradation of Graphene Derivatives: Towards the Design of Non-Toxic, Degradable Nano-Graphene

(2013) Yingjie Li et al.   Small

Computer simulations of the interactions of high-generation polyamidoamine dendrimers with electronegative membranes

(2013) Li-qiang Xie et al.   Soft Matter

Controlling Cellular Uptake of Nanoparticles with pH-Sensitive Polymers

(2013) Hong-ming Ding et al.   Scientific Reports

Ultrasound-Triggered Regulation of Blood Glucose Levels Using Injectable Nano-Network

(2013) Jin Di et al.   Advanced Healthcare Materials

Coarse-Grained Models for Protein-Cell Membrane Interactions

(2013) Ryan Bradley et al.   Polymers

Mechanisms of Nanoparticle-Induced Oxidative Stress and Toxicity

(2013) Amruta Manke et al.   Biomed Research International

Biophysical Responses upon the Interaction of Nanomaterials with Cellular Interfaces

(2012) Yun-Long Wu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Physicochemical Properties Determine Nanomaterial Cellular Uptake, Transport, and Fate

(2012) Motao Zhu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nanomaterial Toxicity Testing in the 21st Century: Use of a Predictive Toxicological Approach and High-Throughput Screening

(2012) Andre Nel et al.   ACCOUNTS OF CHEMICAL RESEARCH

Molecular Interaction of Proteins and Peptides with Nanoparticles

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

Designing Nanoparticle Translocation through Membranes by Computer Simulations

(2012) Hong-ming Ding et al.   ACS Nano

Effects of the Presence or Absence of a Protein Corona on Silica Nanoparticle Uptake and Impact on Cells

(2012) Anna Lesniak et al.   ACS Nano

Chemistry for peptide and protein PEGylation

(2012) M.J. Roberts et al.   ADVANCED DRUG DELIVERY REVIEWS

Stimuli-responsive polymeric nanocarriers for the controlled transport of active compounds: Concepts and applications

(2012) Emanuel Fleige et al.   ADVANCED DRUG DELIVERY REVIEWS

Liposomal drug delivery systems: From concept to clinical applications

(2012) Theresa M. Allen et al.   ADVANCED DRUG DELIVERY REVIEWS

Peptides as Targeting Elements and Tissue Penetration Devices for Nanoparticles

(2012) Erkki Ruoslahti   ADVANCED MATERIALS

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

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

Role of physicochemical properties of coating ligands in receptor-mediated endocytosis of nanoparticles

(2012) Hong-ming Ding et al.   BIOMATERIALS

Modeling and Simulation of Ion Channels

(2012) Christopher Maffeo et al.   CHEMICAL REVIEWS

Surface functionalization of nanoparticles for nanomedicine

(2012) Rubul Mout et al.   CHEMICAL SOCIETY REVIEWS

Nanomedicine

(2012) Frank Caruso et al.   CHEMICAL SOCIETY REVIEWS

Endocytosis at the nanoscale

(2012) Irene Canton et al.   CHEMICAL SOCIETY REVIEWS

Magnetic nanoparticles for the manipulation of proteins and cells

(2012) Yue Pan et al.   CHEMICAL SOCIETY REVIEWS

Mesoporous silica nanoparticles in biomedical applications

(2012) Zongxi Li et al.   CHEMICAL SOCIETY REVIEWS

Structural Characteristics of Oligomeric DNA Strands Adsorbed onto Single-Walled Carbon Nanotubes

(2012) Daniel Roxbury et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computer Simulation of the Effects of Nanoparticles' Adsorption on the Properties of Supported Lipid Bilayer

(2012) Xubo Lin et al.   Journal of Physical Chemistry C

Chemistry of Aqueous Silica Nanoparticle Surfaces and the Mechanism of Selective Peptide Adsorption

(2012) Siddharth V. Patwardhan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nanoparticle Permeation Induces Water Penetration, Ion Transport, and Lipid Flip-Flop

(2012) Bo Song et al.   LANGMUIR

Biomolecular coronas provide the biological identity of nanosized materials

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

A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA

(2012) Xue Xu et al.   NUCLEIC ACIDS RESEARCH

Critical roles of key domains in complete adsorption of Aβ peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations

(2012) Asis K. Jana et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Selectivity of Ligand-Receptor Interactions between Nanoparticle and Cell Surfaces

(2012) Shihu Wang et al.   PHYSICAL REVIEW LETTERS

Current drug research on PEGylation with small molecular agents

(2012) Wenjun Li et al.   PROGRESS IN POLYMER SCIENCE

Interactions Between Proteins and Carbon-Based Nanoparticles: Exploring the Origin of Nanotoxicity at the Molecular Level

(2012) Guanghong Zuo et al.   Small

Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C60: experiment and modeling

(2012) Xue Xu et al.   Soft Matter

Minimum free energy paths for a nanoparticle crossing the lipid membrane

(2012) Christina L. Ting et al.   Soft Matter

Molecular modeling of the pathways of vesicle–membrane interaction

(2012) Tongtao Yue et al.   Soft Matter

Controlled Release of Nanoparticles and Macromolecules from Responsive Microgel Capsules

(2011) Hassan Masoud et al.   ACS Nano

Mechanistic Toxicity Evaluation of Uncoated and PEGylated Single-Walled Carbon Nanotubes in Neuronal PC12 Cells

(2011) Yongbin Zhang et al.   ACS Nano

Remote Triggered Release of Doxorubicin in Tumors by Synergistic Application of Thermosensitive Liposomes and Gold Nanorods

(2011) Abhiruchi Agarwal et al.   ACS Nano

Sheddable Ternary Nanoparticles for Tumor Acidity-Targeted siRNA Delivery

(2011) Xian-Zhu Yang et al.   ACS Nano

Graphene nanosheet: synthesis, molecular engineering, thin film, hybrids, and energy and analytical applications

(2011) Shaojun Guo et al.   CHEMICAL SOCIETY REVIEWS

Applications of advanced hybrid organic–inorganic nanomaterials: from laboratory to market

(2011) Clément Sanchez et al.   CHEMICAL SOCIETY REVIEWS

Toxicity of nanomaterials

(2011) Shahriar Sharifi et al.   CHEMICAL SOCIETY REVIEWS

Understanding and controlling the interaction of nanomaterials with proteins in a physiological environment

(2011) Carl D. Walkey et al.   CHEMICAL SOCIETY REVIEWS

Membrane Pore Formation Induced by Acetylated and Polyethylene Glycol-Conjugated Polyamidoamine Dendrimers

(2011) Hwankyu Lee 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

Self-Assembly of DNA Segments on Graphene and Carbon Nanotube Arrays in Aqueous Solution: A Molecular Simulation Study

(2011) Xiongce Zhao   Journal of Physical Chemistry C

Nanoparticle PEGylation for imaging and therapy

(2011) Jesse V Jokerst et al.   Nanomedicine

Interactions between Janus particles and membranes

(2011) Hong-ming Ding et al.   Nanoscale

The targeted delivery of multicomponent cargos to cancer cells by nanoporous particle-supported lipid bilayers

(2011) Carlee E. Ashley et al.   NATURE MATERIALS

Cell entry of one-dimensional nanomaterials occurs by tip recognition and rotation

(2011) Xinghua Shi et al.   Nature Nanotechnology

Cellular Uptake of Elastic Nanoparticles

(2011) Xin Yi et al.   PHYSICAL REVIEW LETTERS

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

Multistage nanoparticle delivery system for deep penetration into tumor tissue

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

Chitosan—A versatile semi-synthetic polymer in biomedical applications

(2011) M. Dash et al.   PROGRESS IN POLYMER SCIENCE

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

(2011) Tongtao Yue et al.   Soft Matter

Affinity of C60 Neat Fullerenes with Membrane Proteins: A Computational Study on Potassium Channels

(2010) Sebastian Kraszewski et al.   ACS Nano

Plugging into Proteins: Poisoning Protein Function by a Hydrophobic Nanoparticle

(2010) Guanghong Zuo 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

Graphene-Based Antibacterial Paper

(2010) Wenbing Hu et al.   ACS Nano

Dendrimers as Potential Inhibitors of the Dimerization of the Capsid Protein of HIV-1

(2010) Rosa Doménech et al.   BIOMACROMOLECULES

Core–shell structural iron oxide hybrid nanoparticles: from controlled synthesis to biomedical applications

(2010) Lilin Zhou et al.   JOURNAL OF MATERIALS CHEMISTRY

Difference in Hydration between Carboxybetaine and Sulfobetaine

(2010) Qing Shao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How Does Bone Sialoprotein Promote the Nucleation of Hydroxyapatite? A Molecular Dynamics Study Using Model Peptides of Different Conformations

(2010) Yang Yang et al.   LANGMUIR

pH-Responsive Nanoparticles for Drug Delivery

(2010) Weiwei Gao et al.   MOLECULAR PHARMACEUTICS

Understanding and overcoming major barriers in cancer nanomedicine

(2010) Shuming Nie   Nanomedicine

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

(2010) Kai Yang et al.   Nature Nanotechnology

Strategies in the design of nanoparticles for therapeutic applications

(2010) Robby A. Petros et al.   NATURE REVIEWS DRUG DISCOVERY

Enhanced Permeability of Charged Dendrimers across Tense Lipid Bilayer Membranes

(2009) Li-Tang Yan et al.   ACS Nano

Ultralow-Fouling, Functionalizable, and Hydrolyzable Zwitterionic Materials and Their Derivatives for Biological Applications

(2009) Shaoyi Jiang et al.   ADVANCED MATERIALS

Gold nanoparticles in nanomedicine: preparations, imaging, diagnostics, therapies and toxicity

(2009) Elodie Boisselier et al.   CHEMICAL SOCIETY REVIEWS

Understanding biophysicochemical interactions at the nano–bio interface

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

Colloidal Gold and Silver Triangular Nanoprisms

(2009) Jill E. Millstone et al.   Small

Bioconjugated quantum dots for in vivo molecular and cellular imaging☆

(2008) A SMITH et al.   ADVANCED DRUG DELIVERY REVIEWS

Magnetic nanoparticles in MR imaging and drug delivery☆

(2008) C SUN et al.   ADVANCED DRUG DELIVERY REVIEWS

3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors

(2008) Serdar Durdagi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Coarse-Grained Molecular Dynamics Studies of the Concentration and Size Dependence of Fifth- and Seventh-Generation PAMAM Dendrimers on Pore Formation in DMPC Bilayer

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

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C

Computer simulation study of fullerene translocation through lipid membranes

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