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

Helmut I. Padilla-Chavarría, Teobaldo R. C. Guizado and Andre S. Pimentel

Phys. Chem. Chem. Phys., 2015, 17, 20912
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Prednisolone adsorption on lung surfactant models: insights on the formation of nanoaggregates, monolayer collapse and prednisolone spreading

Evelina D. Estrada-López, Erika Murce, Matheus P. P. Franca and Andre S. Pimentel

RSC Adv., 2017, 7, 5272
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Effect of tension and curvature on the chemical potential of lipids in lipid aggregates

Andrea Grafmüller, Reinhard Lipowsky and Volker Knecht

Phys. Chem. Chem. Phys., 2013, 15, 876
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Lateral pressure profiles in lipid monolayers

Svetlana Baoukina, Siewert J. Marrink and D. Peter Tieleman

Faraday Discuss., 2010, 144, 393
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Sinapultide-loaded lipid microbubbles and the stabilization effect of sinapultide on the shells of lipid microbubbles

Dong Liu, Zuoheng Zhang, Zhiguo Qin, Jing Xing, Yang Liu, Juan Jin, Fang Yang and Ning Gu

J. Mater. Chem. B, 2018, 6, 1335
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Structure and dynamics of phospholipid bilayer films under electrochemical control

A. Robert Hillman, Karl S. Ryder, Elena Madrid, Andrew W. Burley, Richard J. Wiltshire, James Merotra, Michaela Grau, Sarah L. Horswell, Andrew Glidle, Robert M. Dalgliesh, Arwel Hughes, Robert Cubitt and Andrew Wildes

Faraday Discuss., 2010, 145, 357
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Molecular dynamics simulations of the interactions of charge-neutral PAMAM dendrimers with pulmonary surfactant

Xubo Lin, Yang Li and Ning Gu

Soft Matter, 2011, 7, 3882
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Cholesterol driven alteration of the conformation and dynamics of phospholamban in model membranes

Moutusi Manna and Chaitali Mukhopadhyay

Phys. Chem. Chem. Phys., 2011, 13, 20188
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The concentration-dependent effect of hydrocortisone on the structure of model lung surfactant monolayer by using an in silico approach

Mohammad Zohurul Islam, Sheikh I. Hossain, E. Deplazes, Zhen Luo and Suvash C. Saha

RSC Adv., 2022, 12, 33313
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Molecular-level insight into the binding of arginine to a zwitterionic Langmuir monolayer

Joaquín Klug, Diego Masone and Mario G. Del Pópolo

RSC Adv., 2017, 7, 30862
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Lipophilicity of Coarse-Grained Cholesterol Models

Franccesca Fornasier, Lucas M. P. Souza, Felipe R. Souza, Franceline Reynaud and Andre S. Pimentel

J. Chem. Inf. Model., 2020, 60, 569
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Effect of Serum, Cholesterol and Low Density Lipoprotein on the Functionality and Structure of Lung Surfactant Films

Prasant Nahak, Kaushik Nag, Ashley Hillier, Ravi Devraj, David W. Thompson, Kausik Manna, Kimiko Makino, Hiroyuki Ohshima, Hiromichi Nakahara, Osamu Shibata and Amiya Kumar Panda

J. Oleo Sci., 2014, 63, 1333
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Concentration-Dependent Effect of the Steroid Drug Prednisolone on a Lung Surfactant Monolayer

Mohammad Zohurul Islam, Martyna Krajewska, Sheikh I. Hossain, Krystyna Prochaska, Azraf Anwar, Evelyne Deplazes and Suvash C. Saha

Langmuir, 2022, 38, 4188
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Computer Simulation of the Nonlinear Optical Properties of Langmuir–Blodgett Films of a Squaraine Derivative

G. Megariotis, A. Avramopoulos, M. G. Papadopoulos and H. Reis

J. Phys. Chem. C, 2012, 116, 15449
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Composition, structure and mechanical properties define performance of pulmonary surfactant membranes and films

Elisa Parra and Jesús Pérez-Gil

Chemistry and Physics of Lipids, 2015, 185, 153
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Permeation of beta-defensin-3 encapsulated with polyethylene glycol in lung surfactant models at air-water interface

F.R. Souza, L.M.P. Souza and A.S. Pimentel

Colloids and Surfaces B: Biointerfaces, 2019, 182, 110357
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Molecular dynamics simulation of phase transitions in model lung surfactant monolayers

Susan L. Duncan, Indranil S. Dalal and Ronald G. Larson

Biochimica et Biophysica Acta (BBA) - Biomembranes, 2011, 1808, 2450
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Mechanism of Action of Thymol on Cell Membranes Investigated through Lipid Langmuir Monolayers at the Air–Water Interface and Molecular Simulation

João Victor N. Ferreira, Tabata M. Capello, Leonardo J. A. Siqueira, João Henrique G. Lago and Luciano Caseli

Langmuir, 2016, 32, 3234
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Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers

Delara Mohammad-Aghaie, Emilie Macé, Charles A. Sennoga, John M. Seddon and Fernando Bresme

J. Phys. Chem. B, 2010, 114, 1325
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Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics

P. Siani, H. Khandelia, M. Orsi and L. G. Dias

J Comput Aided Mol Des, 2018, 32, 1259
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Permeability of antioxidants through a lipid bilayer model with coarse-grained simulations

Hugo Aceves-Luna, Daniel Glossman-Mitnik and Norma Flores-Holguín

Journal of Biomolecular Structure and Dynamics, 2024, 42, 11251
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Exogenous–Endogenous Surfactant Interaction Yields Heterogeneous Spreading in Complex Branching Networks

Richard Mcnair, Fernando Temprano-Coleto, François J. Peaudecerf, Frédéric Gibou, Paolo Luzzatto-Fegiz, Oliver E. Jensen and Julien R. Landel

Phys. Rev. Lett., 2025, 134
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Methylene Blue Adsorption on a DMPA Lipid Langmuir Monolayer

Juan José Giner Casares, Luis Camacho, Maria Teresa Martín‐Romero and José Javier López Cascales

ChemPhysChem, 2010, 11, 2241
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Cholesterol Promotes the Interaction of Alzheimer β-Amyloid Monomer with Lipid Bilayer

Xiang Yu and Jie Zheng

Journal of Molecular Biology, 2012, 421, 561
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Polymer-coated gold nanoparticles and polymeric nanoparticles as nanocarrier of the BP100 antimicrobial peptide through a lung surfactant model

F.R. Souza, F. Fornasier, A.S. Carvalho, B.M. Silva, M.C. Lima and A.S. Pimentel

Journal of Molecular Liquids, 2020, 314, 113661
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Characterization of Perfluorooctylbromide-Based Nanoemulsion Particles Using Atomistic Molecular Dynamics Simulations

Sun-Joo Lee, Brett Olsen, Paul H. Schlesinger and Nathan A. Baker

J. Phys. Chem. B, 2010, 114, 10086
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Penetration of antimicrobial peptides in a lung surfactant model

L.M.P. Souza, J.B. Nascimento, A.L. Romeu, E.D. Estrada-López and A.S. Pimentel

Colloids and Surfaces B: Biointerfaces, 2018, 167, 345
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A Review on Investigating the Interactions between Nanoparticles and the Pulmonary Surfactant Monolayer with Coarse-Grained Molecular Dynamics Method

Kailiang Tang and Xinguang Cui

Langmuir, 2024, 40, 11829
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Interaction of naringin and naringenin with DPPC monolayer at the air-water interface

F.R. Souza, F. Fornasier, L.M.P. Souza, M.P. Peñafiel, J.B. Nascimento, A.A. Malfatti-Gasperini and A.S. Pimentel

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2020, 584, 124024
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Conformation and Orientation of Phospholipid Molecule in Pure Phospholipid Monolayer During Compressing

Weilan XUE, Dan WANG, Zuoxiang ZENG and Xuechao GAO

Chinese Journal of Chemical Engineering, 2013, 21, 177
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Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments

Agnieszka Olżyńska, Michal Zubek, Martina Roeselova, Jacek Korchowiec and Lukasz Cwiklik

Biochimica et Biophysica Acta (BBA) - Biomembranes, 2016, 1858, 3120
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Structural modelling and dynamics of proteins for insights into drug interactions

Tim Werner, Michael B. Morris, Siavoush Dastmalchi and W. Bret Church

Advanced Drug Delivery Reviews, 2012, 64, 323
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Concentration-dependent cortisone adsorption and interaction with model lung surfactant monolayer

Mohammad Zohurul Islam, Sheikh I. Hossain, Evelyne Deplazes and Suvash C. Saha

Molecular Simulation, 2022, 48, 1627
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New insights into exogenous surfactant as a carrier of pulmonary therapeutics

Brandon Baer, Lucas Miguel Pereira Souza, André Silva Pimentel and Ruud A.W. Veldhuizen

Biochemical Pharmacology, 2019, 164, 64
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Comparative study of clinical pulmonary surfactants using atomic force microscopy

Hong Zhang, Qihui Fan, Yi E. Wang, Charles R. Neal and Yi Y. Zuo

Biochimica et Biophysica Acta (BBA) - Biomembranes, 2011, 1808, 1832
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Role of Neutral Lipids in Tear Fluid Lipid Layer: Coarse-Grained Simulation Study

Jelena Telenius, Artturi Koivuniemi, Pipsa Kulovesi, Juha M. Holopainen and Ilpo Vattulainen

Langmuir, 2012, 28, 17092
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C12E6 and SDS Surfactants Simulated at the Vacuum−Water Interface

Liu Shi, Naga Rajesh Tummala and Alberto Striolo

Langmuir, 2010, 26, 5462
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Molecular insights on the interference of simplified lung surfactant models by gold nanoparticle pollutants

Sheikh I. Hossain, Neha S. Gandhi, Zak E. Hughes, Y.T. Gu and Suvash C. Saha

Biochimica et Biophysica Acta (BBA) - Biomembranes, 2019, 1861, 1458
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Tuning the hydrophobicity of a coarse grained model of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using the experimental octanol-water partition coefficient

Lucas M.P. Souza, Felipe R. Souza, Franceline Reynaud and Andre S. Pimentel

Journal of Molecular Liquids, 2020, 319, 114132
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