The PLUMED consortium (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods, 16(8), 670-673. https://doi.org/10.1038/s41592-019-0506-8

Riccardi, E., van Mastbergen, E. C., Navarre, W. W., & Vreede, J. (2019). Predicting the mechanism and rate of H-NS binding to AT-rich DNA. PLoS Computational Biology, 15(3), Article e1006845. https://doi.org/10.1371/journal.pcbi.1006845

Krishna, R. (2019). Highlighting the Influence of Thermodynamic Coupling on Kinetic Separations with Microporous Crystalline Materials. ACS Omega, 4(2), 3409-3419. https://doi.org/10.1021/acsomega.8b03480

Dong, C., Song, X., Zhang, J., Chen, H., Meijer, E. J., & Yu, J. (2019). Selecting solvents for intensification of thermal dissociation of tri-n-octylamine hydrochloride by calculating infrared spectra from ab initio molecular dynamics. Chemical engineering journal, 377, Article 120120. https://doi.org/10.1016/j.cej.2018.10.057

Dubbeldam, D., Vreede, J., Vlugt, T. J. H., & Calero, S. (2019). Highlights of (bio-)chemical tools and visualization software for computational science. Current Opinion in Chemical Engineering, 23, 1-13. https://doi.org/10.1016/j.coche.2019.02.001

Price, S. W. T., Van Loon, A., Keune, K., Parsons, A. D., Murray, C., Beale, A. M., & Mosselmans, J. F. W. (2019). Unravelling the spatial dependency of the complex solid-state chemistry of Pb in a paint micro-sample from Rembrandt's Homer using XRD-CT. Chemical Communications, 55(13), 1931-1934. https://doi.org/10.1039/c8cc09705d

Zhang, C., Liu, X., Lu, X., Meijer, E. J., & Wang, R. (2019). An atomic-scale understanding of the initial stage of nucleation of heavy metal cations on clay edges. Geochimica et Cosmochimica Acta, 248, 161-171. https://doi.org/10.1016/j.gca.2019.01.010

Swenson, D. W. H., Prinz, J.-H., Noe, F., Chodera, J. D., & Bolhuis, P. G. (2019). OpenPathSampling: A Python Framework for Path Sampling Simulations. 1: Basics. Journal of Chemical Theory and Computation, 15(2), 813-836. https://doi.org/10.1021/acs.jctc.8b00626

Krishna, R. (2019). Thermodynamically Consistent Methodology for Estimation of Diffusivities of Mixtures of Guest Molecules in Microporous Materials. ACS Omega, 4(8), 13520-13529. https://doi.org/10.1021/acsomega.9b01873

Vreede, J., Pérez de Alba Ortíz, A., Bolhuis, P. G., & Swenson, D. W. H. (2019). Atomistic insight into the kinetic pathways for Watson-Crick to Hoogsteen transitions in DNA. Nucleic Acids Research, 47(21), 11069-11076. https://doi.org/10.1093/nar/gkz837