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Luís Borges-Araújo

4 results in Authors: Luís Borges-Araújo

Theoretical and Computational Chemistry

Martini 3 Coarse-Grained Force Field for cholesterol

Luís Borges-Araújo, Ana Borges-Araújo, Tugba Ozturk, Daniel P. Ramirez-Echemendia, Balázs Fábián, Timothy S. Carpenter, Sebastian Thallmair, Jonathan Barnoud, Helgi I. Ingólfsson, Gerhard Hummer, D. Peter Tieleman, Siewert J. Marrink, Paulo C. T. Souza, Manuel N. Melo

Version 2 posted 22 September 2023

1,283

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1

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Theoretical and Computational Chemistry

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse Grain Force Field

Luis Borges-Araújo, Paulo Souza, Fábio Fernandes, Manuel N. Melo

Version 2 posted 14 June 2021

1,187

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Theoretical and Computational Chemistry

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

Gilberto P. Pereira, Riccardo Alessandri, Moisés Domínguez, Rocío Araya-Osorio, Linus Grünewald, Luís Borges-Araújo, Sangwook Wu, Siewert J. Marrink, Paulo Cesar Telles de Souza, Raul Mera-Adasme

Version 1 posted 20 February 2024

587

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Theoretical and Computational Chemistry

OLIVES: A Go-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, Birgit Schiøtt

Version 1 posted 17 November 2023

664

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1

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