JONATHAN
BARNOUD
Investigador distinguido
Publikationen (31) Publikationen von JONATHAN BARNOUD
2023
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Building a community-driven ecosystem for fast, reproducible, and reusable molecular simulation analysis using mdanalysis
Biophysical journal, Vol. 122, Núm. 3S1
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Free energy along drug-protein binding pathways interactively sampled in virtual reality
Scientific Reports, Vol. 13, Núm. 1
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Martini 3 Coarse-Grained Force Field for Cholesterol
Journal of chemical theory and computation, Vol. 19, Núm. 20, pp. 7387-7404
2022
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Martini 3 Coarse-Grained Force Field: Small Molecules
Advanced Theory and Simulations, Vol. 5, Núm. 1
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The emerging potential of interactive virtual reality in drug discovery
Expert Opinion on Drug Discovery, Vol. 17, Núm. 7, pp. 685-698
2021
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Martini 3: a general purpose force field for coarse-grained molecular dynamics
Nature Methods, Vol. 18, Núm. 4, pp. 382-388
2020
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Capturing Choline-Aromatics Cation-πInteractions in the MARTINI Force Field
Journal of Chemical Theory and Computation, Vol. 16, Núm. 4, pp. 2550-2560
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Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange
Journal of Chemical Theory and Computation, Vol. 16, Núm. 8, pp. 5313-5322
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Dual Resolution Membrane Simulations Using Virtual Sites
Journal of Physical Chemistry B, Vol. 124, Núm. 19, pp. 3944-3953
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Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
Journal of Chemical Information and Modeling, Vol. 60, Núm. 12, pp. 5803-5814
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Narupa iMD: A VR-Enabled Multiplayer Framework for Streaming Interactive Molecular Simulations
ACM SIGGRAPH 2020 Immersive Pavilion, SIGGRAPH 2020
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Piezo1 Forms Specific, Functionally Important Interactions with Phosphoinositides and Cholesterol
Biophysical Journal, Vol. 119, Núm. 8, pp. 1683-1697
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Resolving Donor–Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains
Advanced Functional Materials, Vol. 30, Núm. 46
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Sex and Ontogenetic Variation in the Crest of Numida meleagris: Implications for Crested Vertebrates
Anatomical Record, Vol. 303, Núm. 4, pp. 1018-1034
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Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes
Nanoscale, Vol. 12, Núm. 17, pp. 9452-9461
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Titratable Martini model for constant pH simulations
Journal of Chemical Physics, Vol. 153, Núm. 2
2019
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Gangliosides Destabilize Lipid Phase Separation in Multicomponent Membranes
Biophysical Journal, Vol. 117, Núm. 7, pp. 1215-1223
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Sharing Data from Molecular Simulations
Journal of Chemical Information and Modeling
2017
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Alcohol interactions with lipid bilayers
Molecules, Vol. 22, Núm. 12
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Lipid phase separation in the presence of hydrocarbons in giant unilamellar vesicles
AIMS Biophysics, Vol. 4, Núm. 4, pp. 528-542