-
Puthenkalathil, R. C., & Ensing, B. (2022). Fast Proton Transport in FeFe Hydrogenase via a Flexible Channel and a Proton Hole Mechanism. Journal of Physical Chemistry B, 126(2), 403-411. https://doi.org/10.1021/acs.jpcb.1c08124 -
Rahbari, A., Hartkamp, R., Moultos, O. A., Bos, A., Van Den Broeke, L. J. P., Ramdin, M., Dubbeldam, D., Lyulin, A. V., & Vlugt, T. J. H. (2022). Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics. Journal of Physical Chemistry C, 126(18), 8121–8133. https://doi.org/10.1021/acs.jpcc.2c01226
-
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
-
Nass, K. J., Ilie, I. M., Saller, M. J., Driessen, A. J. M., Caflisch, A., Kammerer, R. A., & Li, X. (2022). The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations. Biochimica et Biophysica Acta Biomembranes, 1864(3), Article 183825. https://doi.org/10.1016/j.bbamem.2021.183825
-
Bos, T. S., Boelrijk, J., Molenaar, S. R. A., Veer, B. V. ., Niezen, L. E., van Herwerden, D., Samanipour, S., Stoll, D. R., Forré, P., Ensing, B., Somsen, G. W., & Pirok, B. W. J. (2022). Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical Chemistry, 94(46), 16060-16068. https://doi.org/10.1021/acs.analchem.2c03160
-
Ilie, I. M., & Caflisch, A. (2022). Antibody binding increases the flexibility of the prion protein. Biochimica et Biophysica Acta. Proteins and Proteomics, 1870(11-12), Article 140827. https://doi.org/10.1016/j.bbapap.2022.140827
-
Wolzak, L., Hermans, J., Tromp, M., de Vries, F., Korstanje, T. J., van den Berg, K. J., & Reek, J. N. H. (2021). CCDC 2049109: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc26s89l
-
Mohr, B., Shmilovich, K., Kleinwächter, I., Schneider, D., Ferguson, A. L., & Bereau, T. (2021). Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning" [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5507578
-
Krishna, R., Fan, Y., Luo, F., Yin, M., & Feng, X. (2021). CCDC 2032794: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc26790s
Page 29 of 202