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Journal of Molecular Biology|June 5, 1985
A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein. Secondary structure motion in a 150 picosecond trajectoryJ Aqvist, W F van Gunsteren, M Leijonmarck, et al.Journal of Molecular Biology|July 13, 2000
Molecular dynamics simulations highlight mobile regions in proteins: A novel suggestion for converting a murine V(H) domain into a more tractable speciesS Voordijk, T Hansson, D Hilvert, et al.Proteins|June 18, 1999
Molecular dynamics simulations of human alpha-lactalbumin: changes to the structural and dynamical properties of the protein at low pHL J Smith, C M Dobson, W F van GunsterenProtein Engineering|June 1, 1993
Structure prediction of subtilisin BPN' mutants using molecular dynamics methodsA P Heiner, H J Berendsen, W F van GunsterenBiochemistry|November 12, 1991
Conformational flexibility of aqueous monomeric and dimeric insulin: a molecular dynamics studyA E Mark, H J Berendsen, W F van GunsterenActa Biochimica Polonica|January 1, 1995
Rapid non-empirical approaches for estimating relative binding free energiesA E Mark, Y Xu, H Liu, et al.Journal of Molecular Biology|August 26, 1994
Simultaneous refinement of the structure of BPTI against NMR data measured in solution and X-ray diffraction data measured in single crystalsC A Schiffer, R Huber, K Wüthrich, et al.Proteins|February 15, 2001
Entropy calculations on a reversibly folding peptide: changes in solute free energy cannot explain folding behaviorH Schäfer, X Daura, A E Mark, et al.Proteins|March 1, 1997
Protein structure prediction force fields: parametrization with quasi-newtonian dynamicsP Ulrich, W Scott, W F van Gunsteren, et al.Journal of Computer-Aided Molecular Design|April 1, 1992
Conformational search by potential energy annealing: algorithm and application to cyclosporin AR C van Schaik, W F van Gunsteren, H J BerendsenPageof 37