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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

1,433

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2

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Theoretical and Computational Chemistry

Working Paper

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

935

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Theoretical and Computational Chemistry

Working Paper

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

Ilias Patmanidis, Paulo C. T. Souza, Selim Sami, Remco W. A. Havenith, Alex H. de Vries, Siewert J. Marrink

Version 1 posted 09 March 2022

263

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Biological and Medicinal Chemistry

Working Paper

Targeting the energy-coupling factor (ECF) transporters: identification of new tool compounds

Eleonora Diamanti, Inda Setyawati, Spyridon Bousis, Paulo C. T. Souza, leticia mojas, lotteke Swier, Jörg Haupenthal, Paddy Gibson, carsten volz, weronika stanek, manuel Jaeger, jennifer herrmann, Siewert Marrink, jan-willem veening, rolf müller, dirk J. slotboom, Anna K.H. Hirsch

Version 2 posted 01 December 2021

1,169

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5

Citations

Theoretical and Computational Chemistry

Working Paper

On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG

Charly Empereur-mot, Kasper B. Pedersen, Riccardo Capelli, Martina Crippa, Cristina Caruso, Mattia Perrone, Paulo C.T. Souza, Siewert J. Marrink, Giovanni M. Pavan

Version 2 posted 06 April 2023

375

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1

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Physical Chemistry

Working Paper

Comparing dimerization free energies and binding modes of small aromatic molecules with different force fields

Ilias Patmanidis, Riccardo Alessandri, Alex H. de Vries, Siewert J. Marrink

Version 2 posted 09 August 2021

309

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Physical Chemistry

Working Paper

Martini 3 Coarse-Grained Force Field: Small Molecules

Riccardo Alessandri, Jonathan Barnoud, Anders S. Gertsen, Ilias Patmanidis, Alex H. de Vries, Paulo C. T. Souza, Siewert J. Marrink

Version 1 posted 19 July 2021

4,907

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Biological and Medicinal Chemistry

Working Paper

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

382

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Refine Search

8 results in Siewert J. Marrink in Authors: Siewert J. Marrink

Martini 3 Coarse-Grained Force Field for cholesterol

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

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

Targeting the energy-coupling factor (ECF) transporters: identification of new tool compounds

On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG

Comparing dimerization free energies and binding modes of small aromatic molecules with different force fields

Martini 3 Coarse-Grained Force Field: Small Molecules

Martini 3 building blocks for Lipid Nanoparticle design

8 results in Authors: Siewert J. Marrink