Luca Monticelli

32
Documents
Affiliation actuelle
  • Microbiologie moléculaire et biochimie structurale - Molecular Microbiology and Structural Biochemistry (MMSB)

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Publications

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NMR Structural Characterization of SARS-CoV-2 ORF6 Reveals an N-Terminal Membrane Anchor

Martí Ninot-Pedrosa , Gyula Pálfy , Hafez Razmazma , Jackson Crowley , Marie-Laure Fogeron et al.
Journal of the American Chemical Society, 2025, 147 (21), pp.17668-17681. ⟨10.1021/jacs.4c17030⟩
Article dans une revue hal-05343292 v1

Predicting lipid sorting in curved membranes

Jackson Crowley , Cécile Hilpert , Luca Monticelli
Frontiers in Molecular Biosciences, 2024, Methods in Enzymology, 701, pp.287-307. ⟨10.1016/bs.mie.2024.03.022⟩
Article dans une revue hal-05023539 v1
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Overlay databank unlocks data-driven analyses of biomolecules for all

Anne M Kiirikki , Hanne S Antila , Lara S Bort , Pavel Buslaev , Fernando Favela-Rosales et al.
Nature Communications, 2024, 15 (1), pp.1136. ⟨10.1038/s41467-024-45189-z⟩
Article dans une revue hal-04911311 v1

Pragmatic Coarse-Graining of Proteins: Models and Applications

Luís Borges-Araújo , Ilias Patmanidis , Akhil Singh , Lucianna Santos , Adam Sieradzan et al.
Journal of Chemical Theory and Computation, 2023, 19 (20), pp.7112-7135. ⟨10.1021/acs.jctc.3c00733⟩
Article dans une revue (article de synthèse) hal-04296801 v1
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Towards design of drugs and delivery systems with the Martini coarse-grained model

Lisbeth Kjølbye , Gilberto Pereira , Alessio Bartocci , Martina Pannuzzo , Simone Albani et al.
QRB Discovery, 2022, 3, pp.e19. ⟨10.1017/qrd.2022.16⟩
Article dans une revue hal-03864646 v1

Polystyrene perturbs the structure, dynamics, and mechanical properties of DPPC membranes: An experimental and computational study

Davide Bochicchio , Laura Cantu , Maria Vittoria Cadario , Leonardo Palchetti , Francesca Natali et al.
Journal of Colloid and Interface Science, 2022, 605 (1), pp.110-119. ⟨10.1016/j.jcis.2021.07.069⟩
Article dans une revue hal-05023560 v1
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Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

Fabian Grünewald , Riccardo Alessandri , Peter C Kroon , Luca Monticelli , Paulo C T Souza et al.
Nature Communications, In press, 13 (1), pp.68. ⟨10.1038/s41467-021-27627-4⟩
Article dans une revue hal-03855658 v1
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Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter

Vincent Chaptal , Veronica Zampieri , Benjamin Wiseman , Cédric Orelle , Juliette Martin et al.
Science Advances , 2022, 8 (4), pp.eabg9215. ⟨10.1126/sciadv.abg9215⟩
Article dans une revue hal-03552930 v2

Interaction of Phthalates with Lipid Bilayer Membranes

Zobia Naz , Roshan Shrestha , Syed Tarique Moin , Luca Monticelli
Journal of Physical Chemistry B, 2022, 126 (25), pp.4679-4688. ⟨10.1021/acs.jpcb.2c02007⟩
Article dans une revue hal-05023557 v1
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Two decades of Martini: Better beads, broader scope

Siewert Marrink , Luca Monticelli , Manuel Melo , Riccardo Alessandri , D. Peter Tieleman et al.
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022, ⟨10.1002/wcms.1620⟩
Article dans une revue hal-03864638 v1

Elastic moduli of lipid membranes: Reproducibility of AFM measures

Jad Eid , Hélène Greige-Gerges , Luca Monticelli , Alia Jraij
Chemistry and Physics of Lipids, 2021, 234, pp.105011. ⟨10.1016/j.chemphyslip.2020.105011⟩
Article dans une revue hal-05023576 v1
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Martini 3: a general purpose force field for coarse-grained molecular dynamics

Paulo Souza , Riccardo Alessandri , Jonathan Barnoud , Sebastian Thallmair , Ignacio Faustino et al.
Nature Methods, 2021, 18 (4), pp.382-388. ⟨10.1038/s41592-021-01098-3⟩
Article dans une revue hal-03863208 v1
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Effect of quercetin on lipid membrane rigidity: assessment by atomic force microscopy and molecular dynamics simulations

Jad Eid , Alia Jraij , Hélène Greige-Gerges , Luca Monticelli
BBA Advances, 2021, 1, pp.100018. ⟨10.1016/j.bbadva.2021.100018⟩
Article dans une revue hal-05023574 v1

On Calculating the Bending Modulus of Lipid Bilayer Membranes from Buckling Simulations

Jad Eid , Hafez Razmazma , Alia Jraij , Ali Ebrahimi , Luca Monticelli
Journal of Physical Chemistry B, 2020, 124 (29), pp.6299-6311. ⟨10.1021/acs.jpcb.0c04253⟩
Article dans une revue hal-05023582 v1

Understanding the Functional Properties of Lipid Heterogeneity in Pulmonary Surfactant Monolayers at the Atomistic Level

Juho Liekkinen , Berta de Santos Moreno , Riku Paananen , Ilpo Vattulainen , Luca Monticelli et al.
Frontiers in Cell and Developmental Biology, 2020, 8 (1), pp.3944. ⟨10.3389/fcell.2020.581016⟩
Article dans une revue hal-05023590 v1

Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes

Enrico Lavagna , Jonathan Barnoud , Giulia Rossi , Luca Monticelli
Nanoscale, 2020, 12 (17), pp.9452-9461. ⟨10.1039/d0nr00868k⟩
Article dans une revue hal-05023584 v1
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Triacylglycerols sequester monotopic membrane proteins to lipid droplets

Lucie Caillon , Vincent Nieto , Pauline Gehan , Mohyeddine Omrane , Nicolas Rodriguez et al.
Nature Communications, 2020, 11 (1), pp.3944. ⟨10.1038/s41467-020-17585-8⟩
Article dans une revue hal-02934751 v1

Role of Ligand Conformation on Nanoparticle–Protein Interactions

Federica Simonelli , Giulia Rossi , Luca Monticelli
Journal of Physical Chemistry B, 2019, 123 (8), pp.1764-1769. ⟨10.1021/acs.jpcb.8b11204⟩
Article dans une revue hal-05023592 v1
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Membrane Asymmetry Imposes Directionality on Lipid Droplet Emergence from the ER

Aymeric Chorlay , Luca Monticelli , Joana Veríssimo Ferreira , Kalthoum Ben M'Barek , Dalila Ajjaji et al.
Developmental Cell, 2019, 50 (1), pp.25-42.e7. ⟨10.1016/j.devcel.2019.05.003⟩
Article dans une revue hal-02396883 v1

To Bud or Not to Bud: A Perspective on Molecular Simulations of Lipid Droplet Budding

Valeria Zoni , Vincent Nieto , Laura Endter , Herre Risselada , Luca Monticelli et al.
Frontiers in Molecular Biosciences, 2019, 6, ⟨10.3389/fmolb.2019.00124⟩
Article dans une revue hal-05023595 v1

Transferable MARTINI Model of Poly(ethylene Oxide)

Fabian Grunewald , Giulia Rossi , Alex de Vries , Siewert Marrink , Luca Monticelli
Journal of Physical Chemistry B, 2018, 122 (29), pp.7436-7449. ⟨10.1021/acs.jpcb.8b04760⟩
Article dans une revue hal-05023601 v1
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Quantification of Detergents Complexed with Membrane Proteins

Vincent Chaptal , Frédéric Delolme , Arnaud Kilburg , Sandrine Magnard , Cédric Montigny et al.
Scientific Reports, 2017, 7 (1), ⟨10.1038/srep41751⟩
Article dans une revue hal-02110228 v1
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Molecular electrometer and binding of cations to phospholipid bilayers

Andrea Catte , Mykhailo Girych , Matti Javanainen , Claire Loison , Josef Melcr et al.
Physical Chemistry Chemical Physics, 2016, 18, pp.32560-32569. ⟨10.1039/c6cp04883h⟩
Article dans une revue hal-02303912 v1

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Alexandru Botan , Fernando Favela-Rosales , Patrick F. J. Fuchs , Matti Javanainen , Matej Kanduc et al.
Journal of Physical Chemistry B, 2015, 119 (49), pp.15075-15088. ⟨10.1021/acs.jpcb.5b04878⟩
Article dans une revue hal-02308166 v1
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Post-translational acylation drives folding and activity of the CyaA bacterial toxin.

Corentin Léger , Samuel Edmund Hoff , Gaia Scilironi , Amiel Abettan , Roshan Shrestha et al.
2025
Pré-publication, Document de travail pasteur-05261350 v1

Ist2, a protein involved in phosphatidylserine transport, is an ER lipid scramblase

Heitor Gobbi Sebinelli , Camille Syska , Hafez Razmazma , Véronique Albanèse , Ana Rita Dias Araujo et al.
2025
Pré-publication, Document de travail hal-05023533 v1

Modeling Solid-Liquid Interfaces in MARTINI 3

Sonia Cambiaso , Andrea Tagliabue , Davide Bochicchio , Antonio Tinti , Fabio Rasera Figueiredo et al.
2025
Pré-publication, Document de travail hal-05023543 v1
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Martini 3 building blocks for Lipid Nanoparticle design

Lisbeth Ravnkilde Kjølbye , Mariana Valério , Markéta Paloncýová , Luís Borges-Araújo , Roberto Pestana-Nobles et al.
2024
Pré-publication, Document de travail hal-04745118 v1
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GōMartini 3: From large conformational changes in proteins to environmental bias corrections

Paulo C T Souza , Luís Borges-Araújo , Chris Brasnett , Rodrigo A Moreira , Fabian Grünewald et al.
2024
Pré-publication, Document de travail hal-04745078 v1
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The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior

Kasper B Pedersen , Helgi I Ingólfsson , Daniel P Ramirez-Echemendia , Luís Borges-Araújo , Mikkel D Andreasen et al.
2025
Pré-publication, Document de travail hal-04880477 v1
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Martini 3 coarse-grained models for carbon nanomaterials

Roshan Shrestha , Riccardo Alessandri , Martin Vögele , Paulo C T Souza , Siewert-Jan Marrink et al.
2024
Pré-publication, Document de travail hal-04882384 v1
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Drug-bound and -free outward-facing structures of a multidrug ABC exporter point to a swing mechanism

Vincent Chaptal , Veronica Zampieri , Benjamin Wiseman , Cédric Orelle , Juliette Martin et al.
2021
Pré-publication, Document de travail hal-03388821 v1