Tuning the hydrophobicity of a coarse grained model of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using the experimental octanol-water partition coefficient

Lipophilicity of Coarse-Grained Cholesterol Models

(2020) Franccesca Fornasier et al.   Journal of Chemical Information and Modeling

New insights into exogenous surfactant as a carrier of pulmonary therapeutics

(2019) Brandon Baer et al.   BIOCHEMICAL PHARMACOLOGY

Permeation of beta-defensin-3 encapsulated with polyethylene glycol in lung surfactant models at air-water interface

(2019) F.R. Souza et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Molecular dynamics simulation of reversible electroporation with Martini force field

(2019) Cheng Zhou et al.   Biomedical Engineering Online

Interaction of naringin and naringenin with DPPC monolayer at the air-water interface

(2019) F.R. Souza et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Computational Investigations of the Interaction between the Cell Membrane and Nanoparticles Coated with a Pulmonary Surfactant

(2018) Xuan Bai et al.   ACS Applied Materials & Interfaces

Penetration of antimicrobial peptides in a lung surfactant model

(2018) L.M.P. Souza et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Effects of phosphatidylcholine membrane fluidity on the conformation and aggregation of N-terminally acetylated α-synuclein

(2018) Emma I. O'Leary et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Role of Lipid Coating in the Transport of Nanodroplets across the Pulmonary Surfactant Layer Revealed by Molecular Dynamics Simulations

(2018) Yan Xu et al.   LANGMUIR

Antimicrobial action of the cationic peptide, chrysophsin-3: a coarse-grained molecular dynamics study

(2018) Andrea Catte et al.   Soft Matter

The role of nanoparticle shape in translocation across the pulmonary surfactant layer revealed by molecular dynamics simulations

(2018) Zhen Luo et al.   Environmental Science-Nano

Extracting pulmonary surfactants to form inverse micelles on suspended graphene nanosheets

(2018) Zhen Luo et al.   Environmental Science-Nano

The Effects of the Structure and Composition of the Hydrophobic Parts of Phosphatidylcholine-Containing Systems on Phosphatidylcholine Oxidation by Ozone

(2017) Elżbieta Rudolphi-Skórska et al.   JOURNAL OF MEMBRANE BIOLOGY

Ultrashort Single-Walled Carbon Nanotubes Insert into a Pulmonary Surfactant Monolayer via Self-Rotation: Poration and Mechanical Inhibition

(2017) Tongtao Yue et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Perturbation of the pulmonary surfactant monolayer by single-walled carbon nanotubes: a molecular dynamics study

(2017) Yan Xu et al.   Nanoscale

Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics study

(2017) Yan Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Prednisolone adsorption on lung surfactant models: insights on the formation of nanoaggregates, monolayer collapse and prednisolone spreading

(2017) Evelina D. Estrada-López et al.   RSC Advances

Surface patterning of single-walled carbon nanotubes enhances their perturbation on a pulmonary surfactant monolayer: frustrated translocation and bilayer vesiculation

(2017) Tongtao Yue et al.   RSC Advances

Dietary phosphatidylcholine and risk of all-cause and cardiovascular-specific mortality among US women and men

(2016) Yan Zheng et al.   AMERICAN JOURNAL OF CLINICAL NUTRITION

Computer simulations of lung surfactant

(2016) Svetlana Baoukina et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments

(2016) Agnieszka Olżyńska et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces

(2016) Antonio Pizzirusso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of different fatty acids composition of phosphatidylcholine on brain function of dementia mice induced by scopolamine

(2016) Miao-miao Zhou et al.   Lipids in Health and Disease

Structural organization of sterol molecules in DPPC bilayers: a coarse-grained molecular dynamics investigation

(2016) Yawen Zhang et al.   Soft Matter

Targeting Phospholipid Metabolism in Cancer

(2016) Menglin Cheng et al.   Frontiers in Oncology

A coarse-grained molecular dynamics investigation of the phase behavior of DPPC/cholesterol mixtures

(2015) Yawen Zhang et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

C60 fullerene promotes lung monolayer collapse

(2015) J. Barnoud et al.   Journal of the Royal Society Interface

Molecular dynamics of dibenz[a,h]anthracene and its metabolite interacting with lung surfactant phospholipid bilayers

(2015) Helmut I. Padilla-Chavarría et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lipid monolayer disruption caused by aggregated carbon nanoparticles

(2015) Nililla Nisoh et al.   RSC Advances

Characterization of a Pt mirror to be used to deflect synchrotron radiation beam onto Langmuir monolayers

(2015) Carlos E. P. Vieira et al.   JOURNAL OF SYNCHROTRON RADIATION

A review on phospholipids and their main applications in drug delivery systems

(2015) Jing Li et al.   Asian Journal of Pharmaceutical Sciences

Improved Coarse-Grained Modeling of Cholesterol-Containing Lipid Bilayers

(2014) Michael D. Daily et al.   Journal of Chemical Theory and Computation

Surface tension effects on the phase transition of a DPPC bilayer with and without protein: a molecular dynamics simulation

(2014) Xian Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Dynamics Simulations of DPPC Bilayers Using “LIME”, a New Coarse-Grained Model

(2013) Emily M. Curtis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Promote potential applications of nanoparticles as respiratory drug carrier: insights from molecular dynamics simulations

(2013) Xubo Lin et al.   Nanoscale

Evidence of altered phosphatidylcholine metabolism in Alzheimer's disease

(2013) Luke Whiley et al.   NEUROBIOLOGY OF AGING

Intestinal Microbial Metabolism of Phosphatidylcholine and Cardiovascular Risk

(2013) W.H. Wilson Tang et al.   NEW ENGLAND JOURNAL OF MEDICINE

Phosphatidylcholine functional foods and nutraceuticals: A potential approach to prevent non-alcoholic fatty liver disease

(2012) Maida Duric et al.   EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY

Computer simulations of the phase separation in model membranes

(2012) Svetlana Baoukina et al.   FARADAY DISCUSSIONS

Lipid Bilayers: The Effect of Force Field on Ordering and Dynamics

(2012) David Poger et al.   Journal of Chemical Theory and Computation

Molecular View of Phase Coexistence in Lipid Monolayers

(2012) Svetlana Baoukina et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Coarse-grained molecular dynamics simulation of tethered lipid assemblies

(2012) Shihu Wang et al.   Soft Matter

Lung Surfactant Protein SP-B Promotes Formation of Bilayer Reservoirs from Monolayer and Lipid Transfer between the Interface and Subphase

(2011) Svetlana Baoukina et al.   BIOPHYSICAL JOURNAL

A comparative study of Langmuir surfactant films: Grazing incidence x-ray off-specular scattering vs. x-ray specular reflectivity

(2011) Yeling Dai et al.   JOURNAL OF APPLIED PHYSICS

The pH-dependent association with cancer cells of tunable functionalized lipid vesicles with encapsulated doxorubicin for high cell-kill selectivity

(2010) Shrirang Karve et al.   BIOMATERIALS

Direct Simulation of Protein-Mediated Vesicle Fusion: Lung Surfactant Protein B

(2010) Svetlana Baoukina et al.   BIOPHYSICAL JOURNAL

Hydrophobicity - Shake Flasks, Protein Folding and Drug Discovery

(2010) Aurijit Sarkar et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Coarse-Grained Molecular Dynamics Study of Permeability Enhancement in DPPC Bilayers by Incorporation of Lysolipid

(2010) Nicolas D. Winter et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polyunsaturated and Saturated Phospholipids in Mixed Bilayers: A Study from the Molecular Scale to the Lateral Lipid Organization

(2010) C. Rosetti et al.   JOURNAL OF PHYSICAL CHEMISTRY B

RNA and DNA interactions with zwitterionic and charged lipid membranes — A DSC and QCM-D study

(2009) Agnes Michanek et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Coarse-grained modeling of lipids

(2009) Sandra V. Bennun et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Lateral pressure profiles in lipid monolayers

(2009) Svetlana Baoukina et al.   FARADAY DISCUSSIONS

Lipid-based nanotherapeutics for siRNA delivery

(2009) A. Schroeder et al.   JOURNAL OF INTERNAL MEDICINE

Emerging roles for lipids in shaping membrane-protein function

(2009) Rob Phillips et al.   NATURE

Molecular dynamics study of the effect of cholesterol on the properties of lipid monolayers at low surface tensions

(2009) Cameron Laing et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Order Parameters and Areas in Fluid-Phase Oriented Lipid Membranes Using Wide Angle X-Ray Scattering

(2008) Thalia T. Mills et al.   BIOPHYSICAL JOURNAL

GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics

(2008) William J. Allen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Interface Water Dynamics and Porating Electric Fields for Phospholipid Bilayers

(2008) Matthew J. Ziegler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Membrane lipids: where they are and how they behave

(2008) Gerrit van Meer et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

The molecular mechanism of lipid monolayer collapse

(2008) S. Baoukina et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly

(2008) Kathryn A. Scott et al.   STRUCTURE