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Mounir Tarek



**Mounir Tarek** CNRS section 13, DR1 Senior Research Director Laboratoire de Physique et Chimie Théoriques UMR 7019 LPCT Université de Lorraine, Boulevard des Aiguillettes, BP 70239 54506 Vandoeuvre-lès-Nancy, cedex France tel: +33 (0) 3-72-74-52 74 ***RESEARCH INTEREST***Simulation of model membranes and membrane bound species is in biophysics a frontier area of research seething with excitements and challenges. The availability of all the ingredients to investigate membranes, in-silico, opens new perspectives particularly in the biological front. The aim of my research is to take computer simulations to an extra level, where manipulation of molecular nano-objects in-silico, by reproducing realistic mechanisms, sheds light onto challenging multidisciplinary problems. TOPICS • Electroporation of cell membranes (drug and gene delivery, electroshock healing, antibacterial treatment).... • Transport through voltage-gated potassium ion channels (ion conduction and selectivity, regulation, mutations, chanellopathies) • Action of synthetic peptides on membranes (antibacterial action) • Interaction of carbon nanostructures with membranes and membrane proteins. • Membrane Oxidation, Mecanisms. • Development of Coarse grained force fields for biomolecular simulation


Structural effects of charge destabilization and amino acid substitutions in amyloid fragments of CsgA

Natalia Szulc , Marlena Gąsior-Głogowska , Paweł Żyłka , Monika Szefczyk , Jakub Wojciechowski
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2024, 313, pp.124094. ⟨10.1016/j.saa.2024.124094⟩
Journal articles hal-04541972v1
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Molecular Insights for Alzheimer’s Disease: An Unexplored Storyline on the Nanoscale Impact of Nascent Aβ 1–42 toward the Lipid Membrane

David Siniscalco , Grégory Francius , Mounir Tarek , Semiha Kevser Bali , Olivier Laprévote
ACS Applied Materials & Interfaces, 2023, 15 (14), pp.17507-17517. ⟨10.1021/acsami.2c22196⟩
Journal articles hal-04245557v1
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Nanosecond pulsed electric field suppresses growth and reduces multi-drug resistance effect in pancreatic cancer

Wojciech Szlasa , Olga Michel , Natalia Sauer , Vitalij Novickij , Damian Lewandowski
Scientific Reports, 2023, 13, ⟨10.1038/s41598-023-27605-4⟩
Journal articles hal-04325923v1

Intra-protein interacting collective modes in the terahertz frequency region

Valeria Conti Nibali , Francesco Sacchetti , Alessandro Paciaroni , Caterina Petrillo , Mounir Tarek
Journal of Chemical Physics, 2023, 159 (16), ⟨10.1063/5.0142381⟩
Journal articles hal-04327879v1
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Modulation of the IKS channel by PIP2 requires two binding sites per monomer

Audrey Deyawe Kongmeneck , Marina A Kasimova , Mounir Tarek
BBA Advances, 2023, 3, pp.100073. ⟨10.1016/j.bbadva.2023.100073⟩
Journal articles hal-04325911v1
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The role of catechin in electroporation of pancreatic cancer cells – Effects on pore formation and multidrug resistance proteins

Olga Michel , Wojciech Szlasa , Dagmara Baczyńska , Jolanta Saczko , Mounir Tarek
Bioelectrochemistry, 2022, 147, ⟨10.1016/j.bioelechem.2022.108199⟩
Journal articles hal-03876854v1
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Editorial: Molecular Mechanisms of Voltage-Gating in Ion Channels

Gildas Loussouarn , Mounir Tarek
Frontiers in Pharmacology, 2021, 12, ⟨10.3389/fphar.2021.768153⟩
Journal articles hal-03348830v1
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Mechanisms of curcumin-based photodynamic therapy and its effects in combination with electroporation: An in vitro and molecular dynamics study

Wojciech Szlasa , Anna Szewczyk , Małgorzata Drąg-Zalesińska , Hanna Czapor-Irzabek , Olga Michel
Bioelectrochemistry, 2021, 140, pp.107806. ⟨10.1016/j.bioelechem.2021.107806⟩
Journal articles hal-03453861v1
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Atorvastatin Modulates the Efficacy of Electroporation and Calcium Electrochemotherapy

Wojciech Szlasa , Aleksander Kiełbik , Anna Szewczyk , Vitalij Novickij , Mounir Tarek
International Journal of Molecular Sciences, 2021, 22 (20), pp.11245. ⟨10.3390/ijms222011245⟩
Journal articles hal-03453867v1
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Molecular dynamics simulations of the effects of lipid oxidation on the permeability of cell membranes

Daniel Wiczew , Natalia Szulc , Mounir Tarek
Bioelectrochemistry, 2021, 141, pp.107869. ⟨10.1016/j.bioelechem.2021.107869⟩
Journal articles hal-03453851v1
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In Vitro Study of Calcium Microsecond Electroporation of Prostate Adenocarcinoma Cells

Aleksander Kiełbik , Wojciech Szlasa , Olga Michel , Anna Szewczyk , Mounir Tarek
Molecules, 2020, 25 (22), pp.5406. ⟨10.3390/molecules25225406⟩
Journal articles hal-03096075v1
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Lipid composition of the cancer cell membrane

Wojciech Szlasa , Iga Zendran , Aleksandra Zalesińska , Mounir Tarek , Julita Kulbacka
Journal of Bioenergetics and Biomembranes, 2020, 52 (5), pp.321-342. ⟨10.1007/s10863-020-09846-4⟩
Journal articles hal-03089978v1
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Oxidative Effects during Irreversible Electroporation of Melanoma Cells—In Vitro Study

Wojciech Szlasa , Aleksander Kiełbik , Anna Szewczyk , Nina Rembiałkowska , Vitalij Novickij
Molecules, 2020, 26 (1), pp.154. ⟨10.3390/molecules26010154⟩
Journal articles hal-03104922v1
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New insights on the role of ROS in the mechanisms of sonoporation-mediated gene delivery

Jean-Michel Escoffre , Pablo Campomanes , Mounir Tarek , Ayache Bouakaz
Ultrasonics Sonochemistry, 2020, 64, pp.104998. ⟨10.1016/j.ultsonch.2020.104998⟩
Journal articles inserm-02488866v1
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Two-stage electro-mechanical coupling of a KV channel in voltage-dependent activation

Panpan Hou , Po Wei Kang , Audrey Deyawe Kongmeneck , Nien-Du Yang , Yongfeng Liu
Nature Communications, 2020, 11, ⟨10.1038/s41467-020-14406-w⟩
Journal articles hal-03089983v1
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Cepharanthine induces ROS stress in glioma and neuronal cells via modulation of VDAC permeability

Karolina Cierluk , Wojciech Szlasa , Joanna Rossowska , Mounir Tarek , Anna Szewczyk
Saudi Pharmaceutical Journal, 2020, 28 (11), pp.1364-1373. ⟨10.1016/j.jsps.2020.08.026⟩
Journal articles hal-03096148v1

Membrane Electroporation and Electropermeabilization: Mechanisms and Models

Tadej Kotnik , Lea Rems , Mounir Tarek , Damijan Miklavčič
Annual Review of Biophysics and Biomolecular Structure, 2019, 48 (1), pp.63-91. ⟨10.1146/annurev-biophys-052118-115451⟩
Journal articles hal-02275571v1

The contribution of lipid peroxidation to membrane permeability in electropermeabilization: A molecular dynamics study

Lea Rems , Marilyne Viano , Damijan Miklavčič , Marina A. Kasimova , Mounir Tarek
Bioelectrochemistry, 2019, 125, pp.46-57. ⟨10.1016/j.bioelechem.2018.07.018⟩
Journal articles hal-02275573v1

Effects of hydration on the protonation state of a lysine analog crossing a phospholipid bilayer – insights from molecular dynamics and free-energy calculations

Daniel Bonhenry , Francois Dehez , Mounir Tarek
Physical Chemistry Chemical Physics, 2018, 20 (14), pp.9101-9107. ⟨10.1039/C8CP00312B⟩
Journal articles hal-02336378v1

Studying Kv Channels Function using Computational Methods

Audrey Deyawe , Marina A. Kasimova , Lucie Delemotte , Gildas Loussouarn , Mounir Tarek
Methods in Molecular Biology, 2018, Equipe IIa, 1684, pp.321--341. ⟨10.1007/978-1-4939-7362-0_24⟩
Journal articles hal-01833334v1
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Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

Zoe Cournia , Toby Allen , Ioan Andricioaei , Bruno Antonny , Daniel Baum
Journal of Membrane Biology, 2015, 248 (4), pp.611-640. ⟨10.1007/s00232-015-9802-0⟩
Journal articles hal-01498031v1

Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not “Float”

Julian Garrec , Antonio Monari , Xavier Assfeld , Lluis M. Mir , Mounir Tarek
Journal of Physical Chemistry Letters, 2014, 5 (10), pp.1653-1658. ⟨10.1021/jz500502q⟩
Journal articles hal-01153355v1
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How do functionalized carbon nanotubes land on, bind to and pierce through model and plasma membranes.

Lara Lacerda , Hanene Ali-Boucetta , Sebastian Kraszewski , Mounir Tarek , Maurizio Prato
Nanoscale, 2013, 5 (21), pp.10242-10250. ⟨10.1039/c3nr03184e⟩
Journal articles hal-02558864v1

Insertion of short amino-functionalized single-walled carbon nanotubes into phospholipid bilayer occurs by passive diffusion.

Sebastian Kraszewski , Alberto Bianco , Mounir Tarek , Christophe Ramseyer
PLoS ONE, 2012, 7 (7), pp.e40703. ⟨10.1371/journal.pone.0040703⟩
Journal articles hal-00741382v1

Uptake and Translocation Mechanisms of Cationic Amino Derivatives Functionalized on Pristine C-60 by Lipid Membranes: A Molecular Dynamics Simulation Study

S. Kraszewski , M. Tarek , C. Ramseyer
ACS Nano, 2011, 5 (11), pp.8571-8578. ⟨10.1021/nn201952c⟩
Journal articles hal-00733683v1

Affinity of C-60 Neat Fullerenes with Membrane Proteins: A Computational Study on Potassium Channels

S. Kraszewski , M. Tarek , W. Treptow , C. Ramseyer
ACS Nano, 2010, 4 (7), pp.4158-4164. ⟨10.1021/nn100723r⟩
Journal articles hal-00720462v1

On the Antibacterial Action of Cyclic Peptides: Insights from Coarse-Grained MD Simulations

Adil Khalfa , Mounir Tarek
Journal of Physical Chemistry B, 2010, 114 (8), pp.2676-2684. ⟨10.1021/jp9064196⟩
Journal articles hal-02736236v1

Self assembly of peptides near or within membranes using coarse grained MD simulations

A. Khalfa , W. Treptow , Bernard Maigret , M. Tarek
Chemical Physics, 2009, 358 (1-2), pp.161-170. ⟨10.1016/j.chemphys.2009.01.012⟩
Journal articles inria-00435164v1