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Results: 184
Number of items: 184
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2021). Molecular Understanding of Homogeneous Nucleation of CO2 Hydrates Using Transition Path Sampling. Journal of Physical Chemistry B, 125(1), 338-349. https://doi.org/10.1021/acs.jpcb.0c09915
  • Open Access
    Frassek, M., Arjun, A., & Bolhuis, P. G. (2021). An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets. Journal of Chemical Physics, 155(6), Article 064103. https://doi.org/10.1063/5.0058639
  • Vreede, J., Roet, S., Swenson, D., Hooft, F., & Bolhuis, P. (2020, February 22). Multiple State Transition Path Sampling simulations of KRas, wild type and oncogenic mutant Q61L [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.11865579.v1
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2020). Rate Prediction for Homogeneous Nucleation of Methane Hydrate at Moderate Supersaturation Using Transition Interface Sampling. Journal of Physical Chemistry B, 124(37), 8099-8109. https://doi.org/10.1021/acs.jpcb.0c04582
  • Open Access
    Govindarajan, N. (2020). Modeling solvent effects in catalytic reactions for energy conversion. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Buijsman, P., & Bolhuis, P. G. (2020). Transition path sampling for non-equilibrium dynamics without predefined reaction coordinates. Journal of Chemical Physics, 152(4), Article 044108. https://doi.org/10.1063/1.5130760
  • Bolhuis, P. (2019). Free energy, kinetics, and reaction coordinates of biomolecular processes from transition path sampling simulations. Abstracts2view : American Chemical Society Meeting, 257. https://tpa.acs.org/abstract/acsnm257-3126806/free-energy-kinetics-and-reaction-coordinates-of-biomolecular-processes-from-transition-path-sampling-simulations
  • Open Access
    Brotzakis, Z. F., & Bolhuis, P. G. (2019). Approximating free energy and committor landscapes in standard transition path sampling using virtual interface exchange. Journal of Chemical Physics, 151(17), Article 174111. https://doi.org/10.1063/1.5119252
  • Open Access
    Wodak, S. J., Paci, E., Dokholyan, N. V., Berezovsky, I. N., Horovitz, A., Li, J., Hilser, V. J., Bahar, I., Karanicolas, J., Stock, G., Hamm, P., Stote, R. H., Eberhardt, J., Chebaro, Y., Dejaegere, A., Cecchini, M., Changeux, J.-P., Bolhuis, P. G., Vreede, J., ... McLeish, T. (2019). Allostery in Its Many Disguises: From Theory to Applications. Structure, 27(4), 566-578. https://doi.org/10.1016/j.str.2019.01.003
  • Open Access
    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
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