V. Thallmair, L. Schultz, W. Zhao, S.J. Marrink, D. Oliver, S. Thallmair. Two cooperative binding sites sensitize PI(4,5)P2 recognition by the tubby domain. Science Advances 8 (36), eabp9471, 2022. DOI: 10.1126/sciadv.abp9471
F. Grünewald, M.H. Punt, E.E. Jefferys, P.A. Vainikka, M. König, V. Virtanen, T.A. Meyer, W. Pezeshkian, A.J. Gormley, M. Karonen, M.S.P. Sansom, P.C.T. Souza, S.J. Marrink.Martini 3 Coarse-Grained Force Field for Carbohydrates. Journal of Chemical Theory and Computation, 18 (12), 7555–7569, 2022. https://pubs.acs.org/doi/10.1021/acs.jctc.2c00757
I. Patmanidis, P.C.T. Souza, S. Sami, R.W.A. Havenith, A.H. de Vries, S.J. Marrink.Modelling structural properties of cyanine dye nanotubes at coarse-grained level. Nanoscale Advances 4, 3033 - 3042, 2022. https://pubs.rsc.org/en/content/articlelanding/2022/na/d2na00158f
J. Frallicciardi, J. Melcr, P. Siginou, S.J. Marrink, B. Poolman. Membrane thickness, lipid phase and sterol type are determining factors in the permeability of membranes to small solutes. Nature Communications 13, 1605, 2022. https://www.nature.com/articles/s41467-022-29272-x
F. Azadi-Chegeni, S. Thallmair, M.E. Ward, G. Perin, S.J. Marrink, M. Baldus, T. Morosinotto, A. Pandit. Protein dynamics and lipid affinity of monomeric, zeaxanthin-binding LHCII in thylakoid membranes. Biophysical Journal 121 (3), 396-409, 2022. https://www.sciencedirect.com/science/article/abs/pii/S0006349521039631
F. Grünewald, R. Alessandri, P.C. Kroon, L. Monticelli, P.C.T. Souza, S.J. Marrink. Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials. Nature Communications 13, 68, 2022. https://www.nature.com/articles/s41467-021-27627-4
R. Alessandri, J. Barnoud, A.S. Gertsen, I. Patmanidis, A.H. de Vries, P.C.T. Souza, S.J. Marrink.Martini 3 Coarse-Grained Force Field: Small Molecules. Advanced Theory and Simulations 5, 2100391, 2022. https://onlinelibrary.wiley.com/doi/full/10.1002/adts.202100391
N. Machado, B.M.H. Bruininks, ..., S.J. Marrink, P.C.T. Souza, P.P. Favero.Complex nanoemulsion for vitamin delivery: droplet organization and interaction with skin membranes. Nanoscale 14, 506 - 514, 2022. https://doi.org/10.1039/D1NR04610A