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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

711

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Pitfalls of the Martini Model

Riccardo Alessandri, Paulo C. T. Souza, Sebastian Thallmair, Manuel N. Melo, Alex H. de Vries, Siewert-Jan Marrink

Version 1 posted 16 May 2019

794

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Theoretical and Computational Chemistry

Working Paper

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Christos Lamprakis, Ioannis Andreadelis, John Manchester, Camilo Velez-Vega, José S. Duca, Zoe Cournia

Version 1 posted 26 April 2021

617

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Theoretical and Computational Chemistry

Working Paper

Neighbor List Artifacts in Molecular Dynamics Simulations

HYUNTAE KIM, Balázs Fábián, Gerhard Hummer

Version 1 posted 18 July 2023

1,831

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4

Citations

Theoretical and Computational Chemistry

Working Paper

Martini on the Rocks: Can a Coarse-Grained Force Field Model Crystals?

A. Najla Hosseini, David van der Spoel

Version 1 posted 02 January 2024

180

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Theoretical and Computational Chemistry

Working Paper

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

Citations

Materials Science

Working Paper

Modeling Solid-Liquid Interfaces in MARTINI 3

Sonia Cambiaso, Andrea Tagliabue, Davide Bochicchio, Antonio Tinti, Fabio Rasera Figueiredo, Alberto Giacomello, Luca Monticelli, Giulia Rossi

Version 1 posted 05 November 2024

164

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Analytical Chemistry

Working Paper

Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

Luis Itza Vazquez-Salazar, Michele Selle, Alex H. de Vries, Siewert-Jan Marrink, Paulo C. T. Souza

Version 1 posted 28 May 2020

634

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1

Citations

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

572

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Theoretical and Computational Chemistry

Working Paper

Optimal bond-constraint topology for molecular dynamics simulations of cholesterol

Balázs Fábián, Sebastian Thallmair, Gerhard Hummer

Version 1 posted 18 October 2022

457

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1

Citations

Refine Search

14 results in Martini in Keywords: Martini

Molecular Dynamics of Mycolic Acid Monolayers

Pitfalls of the Martini Model

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Neighbor List Artifacts in Molecular Dynamics Simulations

Martini on the Rocks: Can a Coarse-Grained Force Field Model Crystals?

Martini 3 Coarse-Grained Force Field for cholesterol

Modeling Solid-Liquid Interfaces in MARTINI 3

Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

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

Optimal bond-constraint topology for molecular dynamics simulations of cholesterol

14 results in Keywords: Martini