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OnderzoekZernike (ZIAM)

Refereed academic publications of 1999

Molecular Dynamics
  1. Amadei, A., de Groot, B.L., Ceruso, M.A., Paci, M., Di Nola, A. & Berendsen, H.J.C. A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells. Proteins-Structure Function and Genetics 35 (3) 283-292 (1999)

  2. Amadei, A., Apol, M.E.F., Chillemi, G., Berendsen, H.J.C. & Di Nola, A. Derivation of a general fluid equation of state based on the quasi-Gaussian entropy theory: application to the Lennard-Jones fluid. Molecular Physics 96 (10) 1469-1490 (1999)

  3. Apol, M.E.F., Amadei, A., Berendsen, H.J.C. & Di Nola, A. Derivation of thermal equations of state for quantum systems using the quasi-Gaussian entropy theory. Journal of Chemical Physics 111 (10) 4431-4441 (1999)

  4. Daura, X., Gunsteren, W.F.v. & Mark, A.E. Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations. Proteins-Structure Function and Genetics 34 (3) 269-280 (1999)

  5. Daura, X., Mark, A.E. & Gunsteren, W.F.v. Peptide folding simulations: no solvent required? Computer Physics Communications 123 (1-3) 97-102 (1999)

  6. Daura, X., Gademann, K., Jaun, B., Seebach, D., Gunsteren, W.F.v. & Mark, A.E. Peptide folding: When simulation meets experiment. Angewandte Chemie-International Edition in English 38 (1-2) 236-240 (1999)

  7. Daura, X., Antes, I., Gunsteren, W.F.v., Thiel, W. & Mark, A.E. The effect of motional averaging on the calculation of NMR- derived structural properties. Proteins-Structure Function and Genetics 36 (4) 542-555 (1999)

  8. de Groot, B.L., Vriend, G. & Berendsen, H.J.C. Conformational changes in the chaperonin GroEL: New insights into the allosteric mechanism. Journal of Molecular Biology 286 (4) 1241-1249 (1999)

  9. Feenstra, K.A., Hess, B. & Berendsen, H.J.C. Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems. Journal of Computational Chemistry 20 (8) 786-798 (1999)

  10. Kouwijzer, M.L.C.E., Berendsen, H.J.C. & Grootenhuis, P.D.J. Computer simulations of the dynamics of human choriogonadotropin and its alpha subunit. Proteins-Structure Function and Genetics 37 (4) 668-682 (1999)

  11. Lensink, M.F., Mavri, J. & Berendsen, H.J.C. Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester. Journal of Computational Chemistry 20 (8) 886-895 (1999)

  12. Roccatano, D., Amadei, A., Di Nola, A. & Berendsen, H.J.C. A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G. Protein Science 8 (10) 2130-2143 (1999)

  13. Sansom, M.S.P., Tieleman, D.P. & Berendsen, H.J.C. Alamethicin: Molecular dynamics simulations of a channel- forming peptide. Biophysical Journal 76 (1) A444 (1999)

  14. Schafer, H., Gunsteren, W.F.v. & Mark, A.E. Estimating relative free energies from a single ensemble: Hydration free energies. Journal of Computational Chemistry 20 (15) 1604-1617 (1999)

  15. Scott, W.R.P., Hunenberger, P.H., Tironi, I.G., Mark, A.E., Billeter, S.R., Fennen, J., Torda, A.E., Huber, T., Kruger, P. & Gunsteren, W.F.v. The GROMOS biomolecular simulation program package. Journal of Physical Chemistry A 103 (19) 3596-3607 (1999)

  16. Tieleman, D.P., Sansom, M.S.P. & Berendsen, H.J.C. Alamethicin helices in a bilayer and in solution: Molecular dynamics simulations. Biophysical Journal 76 (1) 40-49 (1999)

  17. Tieleman, D.P., Berendsen, H.J.C. & Sansom, M.S.P. An alamethicin channel in a lipid bilayer: Molecular dynamics simulations. Biophysical Journal 76 (4) 1757-1769 (1999)

  18. Tieleman, D.P., Berendsen, H.J.C. & Sansom, M.S.P. Surface binding of alamethicin stabilizes its helical structure: Molecular dynamics simulations. Biophysical Journal 76 (6) 3186-3191 (1999)

  19. Tieleman, D.P., Choma, C.T. & Berendsen, H.J.C. The use of molecular dynamics in De Novo design: application to a transmembrane four-helix coiled coil. Biophysical Journal 76 (1) A426 (1999)

  20. Walser, R., Mark, A.E. & Gunsteren, W.F.v. On the validity of Stokes' law at the molecular level. Chemical Physics Letters 303 (5-6) 583-586 (1999)

Laatst gewijzigd:22 oktober 2012 14:29