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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

312

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Theoretical and Computational Chemistry

Working Paper

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

887

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2

Citations

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

270

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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

570

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Materials Science

Working Paper

Resolving Donor-Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

Riccardo Alessandri, Selim Sami, Jonathan Barnoud, Alex H. de Vries, Siewert-Jan Marrink, Remco W.A. Havenith

Version 1 posted 26 May 2020

580

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Theoretical and Computational Chemistry

Working Paper

Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

Ilias Patmanidis, Alex H. de Vries, Tsjerk A. Wassenaar, Wenjun Wang, Giuseppe Portale, Siewert-Jan Marrink

Version 1 posted 27 August 2020

307

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Biological and Medicinal Chemistry

Working Paper

Molecular Dynamics of Mycolic Acid Monolayers

Wilma Groenewald, Monica Bulacu, Anna Croft, Siewert-Jan Marrink

Version 1 posted 27 March 2019

717

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2

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

383

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1

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Nanoscience

Working Paper

Martini Coarse-Grained Nitrogen Gas Model for Lipid Nanobubble Simulations

Xubo Lin, Fujia Tian, Siewert-Jan Marrink

Version 2 posted 24 March 2021

914

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1

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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

1,174

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5

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Refine Search

17 results in Siewert Marrink in Authors: Siewert Marrink

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

OLIVES: A Go-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field

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

Martini 3 building blocks for Lipid Nanoparticle design

Resolving Donor-Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

Molecular Dynamics of Mycolic Acid Monolayers

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

Martini Coarse-Grained Nitrogen Gas Model for Lipid Nanobubble Simulations

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

17 results in Authors: Siewert Marrink