Reconstruction of atomistic details from coarse-grained structures. - Andrzej J. Rzepiela; Lars V. Schäfer; Nicolae Goga; H. Jelger Risselada; Alex H. de Vries; Siewert J. Marrink (J. Comput. Chem., 2010)

Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. - Djurre H. De Jong; Lars V. Schäfer; Alex H. de Vries; Siewert J. Marrink; Herman J. C. Berendsen; Helmut Grubmüller (J. Comput. Chem., 2011)

Molecular Mechanism of Cyclodextrin Mediated Cholesterol Extraction. - Cesar A. López; Alex H. de Vries; Siewert J. Marrink (PLoS Comput. Biol., 2011)