DL/SCI/R27
MOLECULAR SIMULATION AND PROTEIN CRYSTALLOGRAPHY
January, 1989
Preface |
(iii) |
Protein structure refinement by molecular dynamics techniques P. Gros, M. Fujinaga, A. Mattevi, F.M.D. Vellieux, W.F. van Gunsteren and W.G.J. Hol, University of Groningen |
1 |
Crystallographic refinement by simulated annealing W.I. Weis and A.T. Brünger, Yale University |
16 |
Experiences in the use of restrained dynamic refinement G. Taylor, Laboratory of Molecular Biophysics, Oxford |
29 |
Crystallographic refinement using molecular dynamics: an application to serum transferrin H. Jhoti, Birkbeck College, London |
42 |
Computer simulations of many particle systems I.Haneef, University of Leeds |
54 |
Conformational variability of insulin: a molecular dynamics study L. Caves, University of York |
64 |
Structure determination from NMR conformational data by molecular dynamics calculations M. Nilges, A.M. Gronenborn and G.M. Clore, NIH, Bethesda |
74 |
The calculation of protein structure using NMR data T.S. Harvey, University of Oxford |
84 |
Protein structures from simulated NMR databases R.M. Esnouf, Laboratory of Molecular Biophysics, Oxford |
92 |
On the treatment of disorder in protein refinement: some preliminary results J. Kuriyan, The Rockefeller University |
103 |
An assessment of the program XPLOR as a tool for structure refinement at initial and final stages E.J. Dodson and J.P. Turkenburg, University of York |
113 |