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Results: 179
Number of items: 179
  • Open Access
    van Heesch, T., Bolhuis, P. G., & Vreede, J. (2023). Decoding dissociation of sequence-specific protein-DNA complexes with non-equilibrium simulations. Nucleic Acids Research, 51(22), 12150-12160. https://doi.org/10.1093/nar/gkad1014
  • Open Access
    Arjun, A., & Bolhuis, P. G. (2023). Homogeneous nucleation of crystalline methane hydrate in molecular dynamics transition paths sampled under realistic conditions. Journal of Chemical Physics, 158(4), Article 044504. https://doi.org/10.1063/5.0124852
  • Open Access
    Mohr, B. J. (2023). Coarse-grained modeling for molecular discovery: Applications to cardiolipin-selectivity. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Jonas, H. J., Schall, P., & Bolhuis, P. G. (2022). Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement. Journal of Chemical Physics, 157(9), Article 094903. https://doi.org/10.1063/5.0098882
  • Open Access
    Roet, S., Hooft, F., Bolhuis, P. G., Swenson, D. W. H., & Vreede, J. (2022). Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas. Journal of Physical Chemistry B, 126(48), 10034-10044. https://doi.org/10.1021/acs.jpcb.2c06235
  • Open Access
    Bolhuis, P. G., Brotzakis, Z. F., & Vendruscolo, M. (2021). A maximum caliber approach for continuum path ensembles. The European Physical Journal B. Condensed Matter Physics, 94(9), Article 188. https://doi.org/10.1140/epjb/s10051-021-00154-3
  • 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
    Puthenkalathil, R. C. (2021). Unraveling the mechanism of biomimetic hydrogen fuel production: A computational study. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Wadhawan, A. (2021). Transition path sampling of clathrate hydrate formation. [Thesis, externally prepared, Universiteit van Amsterdam].
  • 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
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