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OnderzoekZernike (ZIAM)

Refereed academic publications of 2001

Molecular Dynamics
  1. Ab, E., Schuurman-Wolters, G.K., Nijlant, D., Dijkstra, K., Saier, M.H., Robillard, G.T. & Scheek, R.M. NMR structure of cysteinyl-phosphorylated enzyme IIB of the N,N '-diacetylchitobiose-specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli. Journal of Molecular Biology 308 (5) 993-1009 (2001)

  2. Amadei, A., Iacono, B., Grego, S., Chillemi, G., Apol, M.E.F., Paci, E., Delfini, M. & Di Nola, A. On the use of the quasi-Gaussian entropy theory in systems of polyatomic flexible molecules. Journal of Physical Chemistry B 105 (9) 1834-1844 (2001)

  3. Berendsen, H.J.C. Bioinformatics - Reality simulation - Observe while it happens. Science 294 (5550) 2304-2305 (2001)

  4. Berendsen, H.J.C. Slow events in complex systems: potentials of mean form and the Smoluchokowski limit in biological systems. SIMU Newsletter MODYN (3) 33-50 (2001)

  5. Burgi, R., Daura, X., Mark, A.E., Bellanda, M., Mammi, S., Peggion, E. & Gunsteren, W.F.v. Folding study of an Aib-rich peptide in DMSO by molecular dynamics simulations. Journal of Peptide Research 57 (2) 107-118 (2001)

  6. Choma, C.T., Tieleman, D.P., Cregut, D., Serrano, L. & Berendsen, H.J.C. Towards the design and computational characterization of a membrane protein. Journal of Molecular Graphics & Modelling 20 (3) 219-234 (2001)

  7. Creveld, L.D., Meijberg, W., Berendsen, H.J.C. & Pepermans, H.A.M. DSC studies of Fusarium solani pisi cutinase: consequences for stability in the presence of surfactants. Biophysical Chemistry 92 (1-2) 65-75 (2001)

  8. de Groot, B.L., Daura, X., Mark, A.E. & Grubmuller, H. Essential dynamics of reversible peptide folding: Memory-free conformational dynamics governed by internal hydrogen bonds. Journal of Molecular Biology 309 (1) 299-313 (2001)

  9. Fioroni, M., Burger, K., Mark, A.E. & Roccatano, D. Model of 1,1,1,3,3,3-hexafluoro-propan-2-ol for molecular dynamics simulations. Journal of Physical Chemistry B 105 (44) 10967-10975 (2001)

  10. Lindahl, E., Hess, B. & van der Spoel, D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. Journal of Molecular Modeling 7 (8) 306-317 (2001)

  11. Marrink, S.J. & Mark, A.E. Effect of undulations on surface tension in simulated bilayers. Journal of Physical Chemistry B 105 (26) 6122-6127 (2001)

  12. Marrink, S.J. & Tieleman, D.P. Molecular dynamics simulation of a lipid diamond cubic phase. Journal of the American Chemical Society 123 (49) 12383-12391 (2001)

  13. Marrink, S.J., Lindahl, E., Edholm, O. & Mark, A.E. Simulation of the spontaneous aggregation of phospholipids into bilayers. Journal of the American Chemical Society 123 (35) 8638-8639 (2001)

  14. Roccatano, D., Mark, A.E. & Hayward, S. Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation. Journal of Molecular Biology 310 (5) 1039-1053 (2001)

  15. Schafer, H., Daura, X., Mark, A.E. & Gunsteren, W.F.v. Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior. Proteins-Structure Function and Genetics 43 (1) 45-56 (2001)

  16. Swart, M., van den Bosch, M., Berendsen, H.J.C., Canters, G.W. & Snijders, J.G. Density functional theory and molecular dynamics results for copper proteins. Journal of Inorganic Biochemistry 86 (1) 445 (2001)

  17. Tieleman, D.P., Berendsen, H.J.C. & Sansom, M.S.P. Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophysical Journal 80 (1) 331-346 (2001)

  18. Walser, R., Hess, B., Mark, A.E. & Gunsteren, W.F.v. Further investigation on the validity of Stokes-Einstein behaviour at the molecular level. Chemical Physics Letters 334 (4-6) 337-342 (2001)

  19. Zangi, R., Kovacs, H., Gunsteren, W.F.v., Johansson, J. & Mark, A.E. Free energy barrier estimation of unfolding the alpha-helical surfactant-associated polypeptide C. Proteins-Structure Function and Genetics 43 (4) 395-402 (2001)

Last modified:22 October 2012 2.30 p.m.