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5 results in Authors: Luís Borges-Araújo

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

896

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2

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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 2 posted 07 June 2024

1,029

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Biological and Medicinal Chemistry

Martini 3 building blocks for Lipid Nanoparticle design

Lisbeth Ravnkilde Kjølbye, MARIANA VALÉRIO, MARKÉTA PALONCÝOVÁ, LUÍS BORGES-ARAÚJO, ROBERTO PESTANA-NOBLES, FABIAN GRÜNEWALD, BART M. H. BRUININKS, ROCÍO ARAYA-OSORIO, MARTIN ŠREJBER, RAUL MERA-ADASME, LUCA MONTICELL, SIEWERT J. MARRINK, MICHAL OTYEPKA, SANGWOOK WU, PAULO C.T. SOUZA

Version 1 posted 24 September 2024

914

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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

1,353

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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

1,471

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2

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