Search results
Results: 14
Number of items: 14
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Pérez de Alba Ortíz, A., & Ensing, B. (2025). Simultaneous sampling of multiple transition channels using adaptive paths of collective variables. Journal of Chemical Physics, 163(14), Article 144104. https://doi.org/10.1063/5.0288060 -
Wang, C., Pérez de Alba Ortíz, A., & Dijkstra, M. (2025). Inverse Design Method with Enhanced Sampling for Complex Open Crystals: Application to Novel Zeolite Self-assembly. ACS Nano, 19(18), 17423-17437. https://doi.org/10.1021/acsnano.4c17597
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Bedolla-Montiel, E. A., Lange, J. T., Pérez de Alba Ortíz, A., & Dijkstra, M. (2024). Inverse design of crystals and quasicrystals in a non-additive binary mixture of hard disks. Journal of Chemical Physics, 160(24), Article 244902. https://doi.org/10.1063/5.0210034
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Mohr, B. J., Vreede, J., Pérez de Alba Ortíz, A., & van Heesch, T. (2024, March 21). WIRES - Enhanced sampling strategies for the molecular simulation of DNA [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.24745611.v3
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Mohr, B., van Heesch, T., Pérez de Alba Ortíz, A., & Vreede, J. (2024). Enhanced sampling strategies for molecular simulation of DNA. Wiley interdisciplinary reviews. Computational molecular science , 14(2), Article e1712. https://doi.org/10.1002/wcms.1712
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Pérez de Alba Ortíz, A., Vreede, J., & Ensing, B. (2022). Sequence dependence of transient Hoogsteen base pairing in DNA. PLoS Computational Biology, 18(5), Article e1010113. https://doi.org/10.1371/journal.pcbi.1010113
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Giubertoni, G., Pérez de Alba Ortíz, A., Bano, F., Zhang, X., Linhardt, R. J., Green, D. E., DeAngelis, P. L., Koenderink, G. H., Richter, R. P., Ensing, B., & Bakker, H. J. (2021). Strong Reduction of the Chain Rigidity of Hyaluronan by Selective Binding of Ca2+ Ions. Macromolecules, 54(3), 1137-1146. https://doi.org/10.1021/acs.macromol.0c02242
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Hooft, F., Pérez de Alba Ortíz, A., & Ensing, B. (2021). Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks. Journal of Chemical Theory and Computation, 17(4), 2294-2306. https://doi.org/10.1021/acs.jctc.0c00981
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Mroginski, M.-A., Adam, S., Amoyal, G. S., Barnoy, A., Bondar, A.-N., Borin, V. A., Church, J. R., Domratcheva, T., Ensing, B., Fanelli, F., Ferre, N., Filiba, O., Pedraza-Gonzalez, L., Gonzaelez, R., Gonzalez-Espinoza, C. E., Kar, R. K., Kemmler, L., Kim, S. S., Kongsted, J., ... Schapiro, I. (2021). Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and Photobiology, 97(2), 243-269. https://doi.org/10.1111/php.13372
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