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Louwerse, M. J., & Rothenberg, G. (2012). Transferable basis sets of numerical atomic orbitals. Physical Review B, 85(3), Article 035108. https://doi.org/10.1103/PhysRevB.85.035108 -
Hurtado, P., Gámez, F., Hamad, S., Martínez-Haya, B., Steill, J. D., & Oomens, J. (2012). Multipodal coordination of a tetracarboxylic crown ether with NH4+: a vibrational spectroscopy and computational study. Journal of Chemical Physics, 136(11), 114301. https://doi.org/10.1063/1.3693518 -
Marino, K. A., & Bolhuis, P. G. (2012). Confinement-Induced States in the Folding Landscape of the Trp-cage Miniprotein. The journal of Physical Chemistry. B, 116(39), 11872-11880. https://doi.org/10.1021/jp306727r -
Liu, X., Lu, X., Wang, R., Meijer, E. J., Zhou, H., & He, H. (2012). Atomic scale structures of interfaces between kaolinite edges and water. Geochimica et Cosmochimica Acta, 92, 233-242. https://doi.org/10.1016/j.gca.2012.06.008 -
Schor, M., Vreede, J., & Bolhuis, P. G. (2012). Elucidating the locking mechanism of peptides onto growing amyloid fibrils through transition path sampling. Biophysical Journal, 103(6), 1296-1304. https://doi.org/10.1016/j.bpj.2012.07.056 -
Grzetic, J., & Oomens, J. (2012). Spectroscopic evidence for an oxazolone structure in anionic b-type peptide fragments. Journal of the American Society for Mass Spectrometry, 23(2), 290-300. https://doi.org/10.1007/s13361-011-0297-3 -
Vreede, J., & Dame, R. T. (2012). Predicting the effect of ions on the conformation of the H-NS dimerization domain. Biophysical Journal, 103(1), 89-98. https://doi.org/10.1016/j.bpj.2012.05.040
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