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The Journal of Physical Chemistry. B|August 18, 2025
Molecular Dynamics Simulation of Fatty Acid Extraction Using a Type V Deep Eutectic Solvent with Tunable HydrophobicityPetteri A Vainikka, Matthijs J Tadema, Siewert J MarrinkJournal of Chemical Theory and Computation|April 14, 2026
Martini 3 Coarse-Grain Model For Linear Perfluoroalkyl SubstancesAlessandro Calza, Matteo Calvaresi, Francesco Zerbetto, et al.Journal of Chemical Theory and Computation|January 14, 2025
Validation of a Coarse-Grained Martini 3 Model for Molecular OxygenSamaneh Davoudi, Petteri A Vainikka, Siewert J Marrink, et al.Advances in Colloid and Interface Science|February 25, 2014
Helfrich model of membrane bending: from Gibbs theory of liquid interfaces to membranes as thick anisotropic elastic layersFelix Campelo, Clement Arnarez, Siewert J Marrink, et al.The Journal of Chemical Physics|July 3, 2015
Adaptive resolution simulation of polarizable supramolecular coarse-grained water modelsJulija Zavadlav, Manuel N Melo, Siewert J Marrink, et al.Nature Communications|May 10, 2020
Backmapping triangulated surfaces to coarse-grained membrane modelsWeria Pezeshkian, Melanie König, Tsjerk A Wassenaar, et al.Physical Chemistry Chemical Physics : PCCP|April 16, 2011
Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sitesAndrzej J Rzepiela, Martti Louhivuori, Christine Peter, et al.Journal of Cell Science|January 9, 2016
Computational 'microscopy' of cellular membranesHelgi I Ingólfsson, Clément Arnarez, Xavier Periole, et al.Biochimica Et Biophysica Acta|November 18, 2008
Lipids on the move: simulations of membrane pores, domains, stalks and curvesSiewert J Marrink, Alex H de Vries, D Peter TielemanJournal of the American Chemical Society|April 9, 2004
Molecular dynamics simulation of the spontaneous formation of a small DPPC vesicle in water in atomistic detailAlex H de Vries, Alan E Mark, Siewert J MarrinkPageof 2,407