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Journal of Chemical Information and Modeling|October 15, 2021
Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics SimulationsCarlos Ramírez-Palacios, Hein J Wijma, Sebastian Thallmair, et al.Journal of Chemical Theory and Computation|November 19, 2015
Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic ModelsTsjerk A Wassenaar, Kristyna Pluhackova, Rainer A Böckmann, et al.Biophysical Journal|April 26, 2026
An optimized contact map for GōMartini 3 enabling conformational changes in protein assembliesGustavo E Olivos-Ramirez, Luis F Cofas-Vargas, Siewert J Marrink, et al.Cell Reports|April 12, 2024
Probing the stability and interdomain interactions in the ABC transporter OpuA using single-molecule optical tweezersLyan van der Sleen, Jan A Stevens, Siewert J Marrink, et al.Physical Review Letters|March 4, 2014
Lipid membranes as solvents for carbon nanoparticlesJonathan Barnoud, Giulia Rossi, Luca MonticelliJournal of Chemical Theory and Computation|November 18, 2015
CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force FieldYifei Qi, Helgi I Ingólfsson, Xi Cheng, et al.The Journal of Physical Chemistry Letters|August 16, 2015
Polystyrene Nanoparticles Perturb Lipid MembranesGiulia Rossi, Jonathan Barnoud, Luca MonticelliPhysical Chemistry Chemical Physics : PCCP|March 26, 2026
A comparative nanomechanical study of antibody and nanobody binding to SARS-CoV-2 variantsLuis F Cofas-Vargas, Gustavo E Olivos-Ramirez, Siewert J Marrink, et al.Nature Communications|March 25, 2025
Martini3-IDP: improved Martini 3 force field for disordered proteinsLiguo Wang, Christopher Brasnett, Luís Borges-Araújo, et al.The Journal of Physical Chemistry. B|February 15, 2013
Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulationsTsjerk A Wassenaar, Helgi I Ingólfsson, Marten Priess, et al.Pageof 2,411