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Results: 10
Number of items: 10
  • Open Access
    Bolhuis, P. G., Brotzakis, Z. F., & Keller, B. K. (2023). Optimizing molecular potential models by imposing kinetic constraints with path reweighting. Journal of Chemical Physics, 159(7), Article 074102. https://doi.org/10.1063/5.0151166
  • Open Access
    Brotzakis, Z. F., Vendruscolo, M., & Bolhuis, P. G. (2021). A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America, 118(2), Article e2012423118. https://doi.org/10.1073/pnas.2012423118
  • 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
    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
    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
  • Open Access
    Brotzakis, Z. F., Voets, I. K., Bakker, H. J., & Bolhuis, P. G. (2018). Water structure and dynamics in the hydration layer of a type III anti-freeze protein. Physical Chemistry Chemical Physics, 20(10), 6996-7006. https://doi.org/10.1039/c8cp00170g
  • Open Access
    Brotzakis, Z. F., Gehre, M., Voets, I. K., & Bolhuis, P. G. (2017). Stability and growth mechanism of self-assembling putative antifreeze cyclic peptides. Physical Chemistry Chemical Physics, 19(29), 19032-19042. https://doi.org/10.1039/c7cp02465g
  • Open Access
    Brotzakis, Z. F. (2017). Hydration layer dynamics and association mechanisms of food and antifreeze proteins: A Molecular Dynamics and Transition Path Sampling study. [Thesis, fully internal, Universiteit van Amsterdam].
  • Brotzakis, Z. F., Groot, C. C. M., Brandeburgo, W. H., Bakker, H. J., & Bolhuis, P. G. (2016). Dynamics of Hydration Water around Native and Misfolded α-Lactalbumin. The journal of Physical Chemistry. B, 120(21), 4756-4766. https://doi.org/10.1021/acs.jpcb.6b02592
  • Open Access
    Brotzakis, Z. F., & Bolhuis, P. G. (2016). A one-way shooting algorithm for transition path sampling of asymmetric barriers. Journal of Chemical Physics, 145(16), Article 164112. https://doi.org/10.1063/1.4965882
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