Wang, Y., He, Y., Yu, Z., Gao, J., ten Brinck, S., Slebodnick, C., Fahs, G. B., Zanelotti, C. J., Hegde, M., Moore, R. B., Ensing, B., Dingemans, T. J., Qiao, R., & Madsen, L. A. (2019). Double helical conformation and extreme rigidity in a rodlike polyelectrolyte. Nature Communications, 10, Article 801. https://doi.org/10.1038/s41467-019-08756-3

Baij, L., Chassouant, L., Hermans, J. J., Keune, K., & Iedema, P. D. (2019). The concentration and origins of carboxylic acid groups in oil paint. RSC Advances, 9(61), 35559-35564. https://doi.org/10.1039/c9ra06776k

Swenson, D. W. H., Prinz, J.-H., Noe, F., Chodera, J. D., & Bolhuis, P. G. (2019). OpenPathSampling: A Python Framework for Path Sampling Simulations. 2: Building and Customizing Path Ensembles and Sample Schemes. Journal of Chemical Theory and Computation, 15(2), 837-856. https://doi.org/10.1021/acs.jctc.8b00627

Krishna, R., & van Baten, J. M. (2019). Elucidating Traffic Junction Effects in MFI Zeolite Using Kinetic Monte Carlo Simulations. ACS Omega, 4(6), 10761-10766. https://doi.org/10.1021/acsomega.9b01369

Schamboek, V., Iedema, P. D., & Kryven, I. (2019). Dynamic Networks that Drive the Process of Irreversible Step-Growth Polymerization. Scientific Reports, 9, Article 2276. https://doi.org/10.1038/s41598-018-37942-4

Govindarajan, N., & Meijer, E. J. (2019). Modeling the Catalyst Activation Step in a Metal-Ligand Radical Mechanism Based Water Oxidation System. Inorganics, 7(5), Article 62. https://doi.org/10.3390/inorganics7050062

Rahbari, A., Hens, R., Jamali, S. H., Ramdin, M., Dubbeldam, D., & Vlugt, T. J. H. (2019). Effect of truncating electrostatic interactions on predicting thermodynamic properties of water-methanol systems. Molecular Simulation, 45(4-5), 336-350. https://doi.org/10.1080/08927022.2018.1547824

Baij, L., Astefanei, A., Hermans, J., Brinkhuis, F., Groenewegen, H., Chassouant, L., Johansson, S., Corthals, G., Tokarski, C., Iedema, P., & Keune, K. (2019). Solvent-mediated extraction of fatty acids in bilayer oil paint models: a comparative analysis of solvent application methods. Heritage Science, 7, Article 31. https://doi.org/10.1186/s40494-019-0273-y

Brotzakis, Z. F., & Bolhuis, P. G. (2019). Unbiased Atomistic Insight into the Mechanisms and Solvent Role for Globular Protein Dimer Dissociation. Journal of Physical Chemistry B, 123(9), 1883-1895. https://doi.org/10.1021/acs.jpcb.8b10005

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