DL-CONF-95-001

MAKING THE MOST OF YOUR MODEL

January, 1995

 

Introduction

Acknowledgements

Invited Speakers’ Contributions

Getting the best X-ray intensity data

S.E. Ealick, Cornell

1

Braille for pugilists

G.J. Kleywegt and T.A. Jones, Uppsala

11

Consistent stereochemical dictionaries for refinement and model building

J.P. Priestle, Ciba-Geigy

25

Implications of atomic resolution

V.S. Lamzin, J. Sevcik*, Z. Dauter and K. Wilson, EMBL, Hamburg and * Bratislava

33

Validating protein structures: from consistency checking to quality assessment

S.J. Wodak, J. Pontius, A. Vaguine and J. Richelle, University Libre de Bruxelles

41

Protein structures in solution viewed by NMR

L.J. Smith and C.M. Dobson, Oxford

53

Comparative structure analysis

L. Holm, and C. Sander, EMBL, Heidelberg

63

Comparison of protein folds and sidechain clusters using algorithms from graph theory

P.J. Artymiuk, A.R. Poirrette, D.W. Rice and P. Willet, Sheffield

71

Software tools for protein structure analysis and fold classification

A.D. Michie, E.G. Hutchinson, R.A. Laskowski, C.A. Orengo and J.M. Thornton, University College, London

83

Protein stability in the Archaea

G. Taylor, R. Russell, J. Rossjohn, M. Danson and D. Hough, Bath

95

Adenylate kinase, structures to mechanism

G.E Schulz, Freiburg

103

Concepts, difficulties and progress in structure based drug design

E.P. Mitchell, K.A. Watson, C. Bichard, G.W.J. Fleet, S.E. Zographos*, N.G. Oikonomakos*, M. Board and L.N. Johnson, Oxford and *Athens

111

Recent advances in automated ligand design

H-J. Böhm, BASF

121

Determination, dynamics and deviations of the structure of T4 lysozyme in 25 crystal forms

X-J. Zhang and B.W. Matthews, Oregon

129