Du, W., & Bolhuis, P. G. (2015). Equilibrium Kinetic Network of the Villin Headpiece in Implicit Solvent. Biophysical Journal, 108(2), 368-378. https://doi.org/10.1016/j.bpj.2014.11.3476

Nowosielski, M. A., & Bolhuis, P. G. (2015). Exploring the Phase Space of Alpha-Synuclein with Replica Exchange Simulations. Biophysical Journal, 108(2, suppl. 1), 63A. https://doi.org/10.1016/j.bpj.2014.11.377

Du, W., Cruz-Cabeza, A. J., Woutersen, S., Davey, R. J., & Yin, Q. (2015). Can the study of self-assembly in solution lead to a good model for the nucleation pathway? The case of tolfenamic acid. Chemical Science, 6(6), 3515-3524. https://doi.org/10.1039/c5sc00522a

Koopman, E. A., & Lowe, C. P. (2014). An algorithm for detecting percolating structures in periodic systems - Application to polymer networks. Journal of computational Physics, 274, 758-769. https://doi.org/10.1016/j.jcp.2014.06.054

Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2014). Exploring new methods and materials for enantioselective separations and catalysis. Molecular Simulation, 40(7-9), 585-598. https://doi.org/10.1080/08927022.2013.829225

Torres-Knoop, A., Krishna, R., & Dubbeldam, D. (2014). Separating Xylene Isomers by Commensurate Stacking of p-Xylene within Channels of MAF-X8. Angewandte Chemie, International Edition, 53(30), 7774-7778. https://doi.org/10.1002/anie.201402894, https://doi.org/10.1002/ange.201402894

Qiao, Z., Torres-Knoop, A., Dubbeldam, D., Fairen-Jimenez, D., Zhou, J., & Snurr, R. Q. (2014). Advanced Monte Carlo simulations of the adsorption of chiral alcohols in a homochiral metal-organic framework. AIChE Journal, 60(6), 2324-2334. https://doi.org/10.1002/aic.14415

Krishna, R. (2014). Evaluation of procedures for estimation of the isosteric heat of adsorption in microporous materials. Chemical Engineering Science. https://doi.org/10.1016/j.ces.2014.11.007

Torres-Knoop, A., Balaji, S. P., Vlugt, T. J. H., & Dubbeldam, D. (2014). A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC. Journal of Chemical Theory and Computation, 10(3), 942-952. https://doi.org/10.1021/ct4009766

Costanzo, F., Ensing, B., Scipioni, R., Ancilotto, F., & Silvestrelli, P. L. (2014). Interaction of H2 with a Double-Walled Armchair Nanotube by First-Principles Calculations. The Journal of Physical Chemistry. C, 118(29), 15816-15824. https://doi.org/10.1021/jp503693q