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

Wrapping of nanoparticles by membranes

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

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

(2014) Hong-ming Ding et al.   BIOMATERIALS

Transmembrane Permeation Mechanism of Charged Methyl Guanidine

(2014) Yukun Wang et al.   Journal of Chemical Theory and Computation

Free Energy Calculation of Nanodiamond-Membrane Association—The Effect of Shape and Surface Functionalization

(2014) Zhenpeng Ge et al.   Journal of Chemical Theory and Computation

A Universal Law for Cell Uptake of One-Dimensional Nanomaterials

(2014) Xin Yi et al.   NANO LETTERS

Nucleus-Targeted Drug Delivery: Theoretical Optimization of Nanoparticles Decoration for Enhanced Intracellular Active Transport

(2014) Ohad Cohen et al.   NANO LETTERS

Shape and Orientation Matter for the Cellular Uptake of Nonspherical Particles

(2014) Sabyasachi Dasgupta et al.   NANO LETTERS

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

Cholesterol affects C60translocation across lipid bilayers

(2014) Dandan Sun et al.   Soft Matter

Assembly of Nsp1 Nucleoporins Provides Insight into Nuclear Pore Complex Gating

(2014) Ramya Gamini et al.   PLoS Computational Biology

The Role of Surface Functionality in Determining Nanoparticle Cytotoxicity

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

Cell Membranes Open “Doors” for Cationic Nanoparticles/Biomolecules: Insights into Uptake Kinetics

(2013) Jiaqi Lin et al.   ACS Nano

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

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

Design maps for cellular uptake of gene nanovectors by computer simulation

(2013) Hong-ming Ding et al.   BIOMATERIALS

One-dimensional potential of mean force underestimates activation barrier for transport across flexible lipid membranes

(2013) Dmitry I. Kopelevich   JOURNAL OF CHEMICAL PHYSICS

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Homogeneous Hydrophobic–Hydrophilic Surface Patterns Enhance Permeation of Nanoparticles through Lipid Membranes

(2013) Paraskevi Gkeka et al.   Journal of Physical Chemistry Letters

How Half-Coated Janus Particles Enter Cells

(2013) Yuan Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing mechanical principles of cell–nanomaterial interactions

(2013) Huajian Gao   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Role of Nanoparticle Geometry in Endocytosis: Laying Down to Stand Up

(2013) Changjin Huang et al.   NANO LETTERS

Effect of Particle Diameter and Surface Composition on the Spontaneous Fusion of Monolayer-Protected Gold Nanoparticles with Lipid Bilayers

(2013) Reid C. Van Lehn et al.   NANO LETTERS

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

(2013) Zhi Guo Qu et al.   Nanomedicine

Influence of geometric nanoparticle rotation on cellular internalization process

(2013) Kai Yang et al.   Nanoscale

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

(2013) Noriyoshi Arai et al.   Nanoscale

Translating materials design to the clinic

(2013) Jeffrey A. Hubbell et al.   NATURE MATERIALS

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

Highly efficient gate-tunable photocurrent generation in vertical heterostructures of layered materials

(2013) Woo Jong Yu et al.   Nature Nanotechnology

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

(2013) Anna Salvati et al.   Nature Nanotechnology

Effect of charge, hydrophobicity, and sequence of nucleoporins on the translocation of model particles through the nuclear pore complex

(2013) Mario Tagliazucchi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Minimal "Self" Peptides That Inhibit Phagocytic Clearance and Enhance Delivery of Nanoparticles

(2013) P. L. Rodriguez et al.   SCIENCE

Membrane Perturbation by Carbon Nanotube Insertion: Pathways to Internalization

(2013) Mickaël Lelimousin et al.   Small

Wrapping of ellipsoidal nano-particles by fluid membranes

(2013) Sabyasachi Dasgupta et al.   Soft Matter

Penetration of polymer-grafted nanoparticles through a lipid bilayer

(2013) Qing Liang   Soft Matter

Orientational changes and impaired internalization of ellipsoidal nanoparticles by vesicle membranes

(2013) Amir Houshang Bahrami   Soft Matter

Physical modelling of the nuclear pore complex

(2013) Dino Osmanović et al.   Soft Matter

Internalization pathways of nanoparticles and their interaction with a vesicle

(2013) Xiaoming Chen et al.   Soft Matter

Mesoscale modeling: solving complex flows in biology and biotechnology

(2013) Zachary Grant Mills et al.   TRENDS IN BIOTECHNOLOGY

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

Biomolecule Surface Patterning May Enhance Membrane Association

(2012) Sergey Pogodin et al.   ACS Nano

Structural and Thermal Analysis of Lipid Vesicles Encapsulating Hydrophobic Gold Nanoparticles

(2012) Gregory Von White et al.   ACS Nano

Cooperative Effect in Receptor-Mediated Endocytosis of Multiple Nanoparticles

(2012) Tongtao Yue et al.   ACS Nano

Designing Nanoparticle Translocation through Membranes by Computer Simulations

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

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

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

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

(2012) Hong-ming Ding et al.   BIOMATERIALS

Molecular modeling of the relationship between nanoparticle shape anisotropy and endocytosis kinetics

(2012) Ye Li et al.   BIOMATERIALS

Nanomedicine

(2012) Frank Caruso et al.   CHEMICAL SOCIETY REVIEWS

Endocytosis at the nanoscale

(2012) Irene Canton et al.   CHEMICAL SOCIETY REVIEWS

The unique role of nanoparticles in nanomedicine: imaging, drug delivery and therapy

(2012) Tennyson L. Doane et al.   CHEMICAL SOCIETY REVIEWS

Theoretical and computational studies of dendrimers as delivery vectors

(2012) Wen-de Tian et al.   CHEMICAL SOCIETY REVIEWS

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

LIPID11: A Modular Framework for Lipid Simulations Using Amber

(2012) Åge A. Skjevik et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers through Computational Calorimetry

(2012) Jocelyn M. Rodgers et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of Nanoparticle Charge and Shape Anisotropy on Translocation through Cell Membranes

(2012) Shikha Nangia et al.   LANGMUIR

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

(2012) Bo Song et al.   LANGMUIR

Biodegradable polymeric micelles for targeted and controlled anticancer drug delivery: Promises, progress and prospects

(2012) Chao Deng et al.   Nano Today

Surface-structure-regulated penetration of nanoparticles across a cell membrane

(2012) Yinfeng Li et al.   Nanoscale

Biomolecular coronas provide the biological identity of nanosized materials

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

Molecularly self-assembled nucleic acid nanoparticles for targeted in vivo siRNA delivery

(2012) Hyukjin Lee et al.   Nature Nanotechnology

On developing coarse-grained models for biomolecular simulation: a review

(2012) Sereina Riniker et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nanoparticle translocation through a lipid bilayer tuned by surface chemistry

(2012) Edroaldo Lummertz da Rocha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of Membrane Tube Formation Induced by Adhesive Nanocomponents

(2012) Anđela Šarić et al.   PHYSICAL REVIEW LETTERS

Selectivity of Ligand-Receptor Interactions between Nanoparticle and Cell Surfaces

(2012) Shihu Wang et al.   PHYSICAL REVIEW LETTERS

Tubulation and Aggregation of Spherical Nanoparticles Adsorbed on Vesicles

(2012) Amir Houshang Bahrami et al.   PHYSICAL REVIEW LETTERS

Revealing Rotational Modes of Functionalized Gold Nanorods on Live Cell Membranes

(2012) Yan Gu et al.   Small

Surface Functionality of Nanoparticles Determines Cellular Uptake Mechanisms in Mammalian Cells

(2012) Krishnendu Saha et al.   Small

Minimum free energy paths for a nanoparticle crossing the lipid membrane

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

Homo-polymers with balanced hydrophobicity translocate through lipid bilayers and enhance local solvent permeability

(2012) Marco Werner et al.   Soft Matter

Insights into the endosomal escape mechanism via investigation of dendrimer–membrane interactions

(2012) Wen-de Tian et al.   Soft Matter

Molecular modeling of the pathways of vesicle–membrane interaction

(2012) Tongtao Yue et al.   Soft Matter

Translocation of polyarginines and conjugated nanoparticles across asymmetric membranes

(2012) Zhen-lu Li et al.   Soft Matter

Progress and perspectives in developing polymeric vectors for in vitro gene delivery

(2012) Yanan Yue et al.   Biomaterials Science

Recent Advances in Nonviral Vectors for Gene Delivery

(2011) Xia Guo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Theranostic Nanomedicine

(2011) Twan Lammers et al.   ACCOUNTS OF CHEMICAL RESEARCH

Multistage Nanovectors: From Concept to Novel Imaging Contrast Agents and Therapeutics

(2011) Biana Godin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Surface Patterning of Carbon Nanotubes Can Enhance Their Penetration through a Phospholipid Bilayer

(2011) Sergey Pogodin et al.   ACS Nano

Physico-chemical parameters that govern nanoparticles fate also dictate rules for their molecular evolution

(2011) Sandrine Dufort et al.   ADVANCED DRUG DELIVERY REVIEWS

Cellular Association and Cargo Release of Redox-Responsive Polymer Capsules Mediated by Exofacial Thiols

(2011) Yan Yan et al.   ADVANCED MATERIALS

Interactions of a Charged Nanoparticle with a Lipid Membrane: Implications for Gene Delivery

(2011) Christina L. Ting et al.   BIOPHYSICAL JOURNAL

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

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

Membrane-active host defense peptides – Challenges and perspectives for the development of novel anticancer drugs

(2011) Sabrina Riedl et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Application of a Continuum Mean Field Approximation to Fullerenes in Lipid Bilayers

(2011) R. J.K. Udayana Ranatunga et al.   Current Nanoscience

The Role of Patterned Hydrophilic Domains in Nanoparticle-Membrane Interactions

(2011) Paraskevi Gkeka et al.   Current Nanoscience

Effects of Carbon Nanotubes on Structure and Elasticity of Lipid Bilayers

(2011) Young-Min Ban et al.   Current Nanoscience

Equilibrium Insertion of Nanoscale Objects into Phospholipid Bilayers

(2011) Sergey Pogodin et al.   Current Nanoscience

Interactions of End-functionalized Nanotubes with Lipid Vesicles: Spontaneous Insertion and Nanotube Self-Organization

(2011) Meenakshi Dutt et al.   Current Nanoscience

Therapeutic plasmid DNA versus siRNA delivery: Common and different tasks for synthetic carriers

(2011) Claudia Scholz et al.   JOURNAL OF CONTROLLED RELEASE

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

Permeation of nanocrystals across lipid membranes

(2011) Bo Song et al.   MOLECULAR PHYSICS

Non-adiabatic dynamics of interfacial systems: a case study of a nanoparticle penetration into a lipid bilayer

(2011) Young-Min Ban et al.   MOLECULAR SIMULATION

Receptor-Mediated Endocytosis of Nanoparticles of Various Shapes

(2011) Robert Vácha et al.   NANO LETTERS

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

Penetration of lipid bilayers by nanoparticles with environmentally-responsive surfaces: simulations and theory

(2011) Reid C. Van Lehn et al.   Soft Matter

Molecular Simulation Approaches to Membrane Proteins

(2011) Phillip J. Stansfeld et al.   STRUCTURE

Can a Carbon Nanotube Pierce through a Phospholipid Bilayer?

(2010) Sergey Pogodin et al.   ACS Nano

Defect-Mediated Trafficking across Cell Membranes: Insights fromin SilicoModeling

(2010) Andrey A. Gurtovenko et al.   CHEMICAL REVIEWS

Strategies for the intracellular delivery of nanoparticles

(2010) Leo Y. T. Chou et al.   CHEMICAL SOCIETY REVIEWS

Receptor mobility, the cytoskeleton, and particle binding during phagocytosis

(2010) Valentin Jaumouillé et al.   CURRENT OPINION IN CELL BIOLOGY

Nanomaterials in biological environment: a review of computer modelling studies

(2010) A. J. Makarucha et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Nanoparticle's Size Effect on Its Translocation Across a Lipid Bilayer: A Molecular Dynamics Simulation

(2010) Xubo Lin et al.   Journal of Computational and Theoretical Nanoscience

Endosomal escape pathways for delivery of biologicals

(2010) Amir K. Varkouhi et al.   JOURNAL OF CONTROLLED RELEASE

Parametrization and Application of a Coarse Grained Force Field for Benzene/Fullerene Interactions with Lipids

(2010) Russell DeVane et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Understanding and overcoming major barriers in cancer nanomedicine

(2010) Shuming Nie   Nanomedicine

Forming transmembrane channels using end-functionalized nanotubes

(2010) Meenakshi Dutt et al.   Nanoscale

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

(2010) Kai Yang et al.   Nature Nanotechnology

Adhesion of cylindrical colloids to the surface of a membrane

(2010) Sergey Mkrtchyan et al.   PHYSICAL REVIEW E

Sandwiched Graphene−Membrane Superstructures

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

Mechanisms of Endocytosis

(2009) Gary J. Doherty et al.   Annual Review of Biochemistry

Monte Carlo simulations of complex formation between a mixed fluid vesicle and a charged colloid

(2009) Miha Fošnarič et al.   JOURNAL OF CHEMICAL PHYSICS

Quantification of plasmid DNA copies in the nucleus after lipoplex and polyplex transfection

(2009) Richard N. Cohen et al.   JOURNAL OF CONTROLLED RELEASE

Multiscale Modeling of Dendrimers and Their Interactions with Bilayers and Polyelectrolytes

(2009) Hwankyu Lee et al.   MOLECULES

Understanding the Role of Surface Charges in Cellular Adsorption versus Internalization by Selectively Removing Gold Nanoparticles on the Cell Surface with a I2/KI Etchant

(2009) Eun Chul Cho et al.   NANO LETTERS

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

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

Virus entry by macropinocytosis

(2009) Jason Mercer et al.   NATURE CELL BIOLOGY

Understanding biophysicochemical interactions at the nano–bio interface

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

Properties and emerging applications of self-assembled structures made from inorganic nanoparticles

(2009) Zhihong Nie et al.   Nature Nanotechnology

Knocking down barriers: advances in siRNA delivery

(2009) Kathryn A. Whitehead et al.   NATURE REVIEWS DRUG DISCOVERY

Controlling Cellular Uptake by Surface Chemistry, Size, and Surface Topology at the Nanoscale

(2009) Marzia Massignani et al.   Small

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

Harnessing Janus Nanoparticles to Create Controllable Pores in Membranes

(2008) Alexander Alexeev et al.   ACS Nano

Size-Dependent Endocytosis of Nanoparticles

(2008) Sulin Zhang et al.   ADVANCED MATERIALS

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

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

Membranes: a meeting point for lipids, proteins and therapies

(2008) Pablo V. Escribá et al.   JOURNAL OF CELLULAR AND MOLECULAR MEDICINE

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli 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

Simulation Study of Protein-Mediated Vesicle Fusion

(2008) Shaogui Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2008) Ayush Verma et al.   NATURE MATERIALS

Nanomaterials at work in biomedical research

(2008) Younan Xia   NATURE MATERIALS

Physical approaches to biomaterial design

(2008) Samir Mitragotri et al.   NATURE MATERIALS

Computer simulation study of fullerene translocation through lipid membranes

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

Nanoparticle-mediated cellular response is size-dependent

(2008) Wen Jiang et al.   Nature Nanotechnology

The molecular face of lipid rafts in model membranes

(2008) H. J. Risselada et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA