Luís Pedro Borges Araújo

100%
Libre accès
10
Documents
Affiliations actuelles
  • Laboratoire de biologie et modélisation de la cellule (LBMC UMR 5239)
  • Centre Blaise Pascal (CBP)

Présentation


Compétences

Molecular Dynamics Coarse-grained modelling Biophysics Biochemistry Fluorescence Spectroscopy and Microscopy

Publications

Publications

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Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics

Gilberto P Pereira , Riccardo Alessandri , Moisés Domínguez , Rocío Araya-Osorio , Linus Grünewald et al.
Journal of Chemical Theory and Computation, 2024, 20 (13), pp.5763-5773. ⟨10.1021/acs.jctc.4c00275⟩
Article dans une revue hal-04745117 v1
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OLIVES: A Go̅-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field

Kasper B Pedersen , Luís Borges-Araújo , Amanda D Stange , Paulo C. T. Souza , Siewert-Jan Marrink et al.
Journal of Chemical Theory and Computation, 2024, ⟨10.1021/acs.jctc.4c00553⟩
Article dans une revue hal-04745097 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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Expulsion mechanism of the substrate-translocating subunit in ECF transporters

Chancievan Thangaratnarajah , Mark Nijland , Luís Borges-Araújo , Aike Jeucken , Jan Rheinberger et al.
Nature Communications, 2023, 14 (1), pp.4484. ⟨10.1038/s41467-023-40266-1⟩
Article dans une revue hal-04296762 v1
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Martini 3 Coarse-Grained Force Field for Cholesterol

Luís Borges-Araújo , Ana C Borges-Araújo , Tugba Nur Ozturk , Daniel P Ramirez-Echemendia , Balázs Fábián et al.
Journal of Chemical Theory and Computation, 2023, 19 (20), pp.7387-7404. ⟨10.1021/acs.jctc.3c00547⟩
Article dans une revue hal-04296756 v1
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Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field

Luís Borges-Araújo , Paulo Souza , Fábio Fernandes , Manuel Melo
Journal of Chemical Theory and Computation, 2022, 18 (1), pp.357-373. ⟨10.1021/acs.jctc.1c00615⟩
Article dans une revue hal-03864628 v1