Skip to ContentSkip to Navigation
OnderzoekZernike (ZIAM)

Refereed academic publications of 2006

Molecular Dynamics
  1. Baron, R., de Vries, A.H., Hunenberger, P.H. & van Gunsteren, W.F. Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates. Journal of Physical Chemistry B 110 (16) 8464-8473 (2006)

  2. Baron, R., de Vries, A.H., Hunenberger, P.H. & van Gunsteren, W.F. Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations. Journal of Physical Chemistry B 110 (31) 15602-15614 (2006)

  3. Brath, U., Akke, M., Yang, D.W., Kay, L.E. & Mulder, F.A.A. Functional dynamics of human FKBP12 revealed by methyl C-13 rotating frame relaxation dispersion NMR spectroscopy. Journal of the American Chemical Society 128 (17) 5718-5727 (2006)

  4. Fan, H. & Mark, A.E. Mimicking the action of GroEL in molecular dynamics simulations: Application to the refinement of protein structures. Protein Science 15 (3) 441-448 (2006)

  5. Fan, H., Wang, X.Q., Zhu, J., Robillard, G.T. & Mark, A.E. Molecular dynamics simulations of the hydrophobin SC3 at a hydrophobic/hydrophilic interface. Proteins-Structure Function and Bioinformatics 64 (4) 863-873 (2006)

  6. Kampmann, T., Mueller, D.S., Mark, A.E., Young, P.R. & Kobe, B. The role of histidine residues in low-pH-mediated viral membrane fusion. Proteins-Structure Function and Bioinformatics 14 (10) 1481-1487 (2006)

  7. Knecht, V., Mark, A.E. & Marrink, S.J. Phase behavior of a phospholipid/fatty acid/water mixture studied in atomic detail. Journal of the American Chemical Society 128 (6) 2030-2034 (2006)

  8. Leontiadou, H., Mark, A.E. & Marrink, S.J. Antimicrobial peptides in action. Journal of the American Chemical Society 128 (37) 12156-12161 (2006)

  9. Lindman, S., Linse, S., Mulder, F.A.A. & Andre, I. Electrostatic contributions to residue-specific protonation equilibria and proton binding capacitance for a small protein. Biochemistry 45 (47) 13993-14002 (2006)

  10. Louhivuori, M., Otten, R., Lindorff-Larsen, K. & Annila, A. Conformational fluctuations affect protein alignment in dilute liquid crystal media. Journal of the American Chemical Society 128 (13) 4371-4376 (2006)

  11. Tieleman, D.P. & Marrink, S.J. Lipids out of equilibrium: Energetics of desorption and pore mediated flip-flop. Journal of the American Chemical Society 128 (38) 12462-12467 (2006)

  12. Villa, A., Mark, A.E., Saracino, G.A.A., Cosentino, U., Pitea, D., Moro, G. & Salmona, M. Conformational polymorphism of the PrP106-126 peptide in different environments: A molecular dynamics study. Journal of Physical Chemistry B 110 (3) 1423-1428 (2006)

  13. Wassenaar, T.A. & Mark, A.E. The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions. Journal of Computational Chemistry 27 (3) 316-325 (2006)

Last modified:22 October 2012 2.30 p.m.