Ligand docking from an infinite 3D database

A. Peter Johnson, Zsolt Zsoldos

School of Chemistry
University of Leeds
Leeds, LS2 9JT
United Kingdom

Presentation held at:

4th International Conference on Chemical Structures
June 1996, Noordwijkerhout, The Netherlands

PRESENTATION SLIDES

1: Title page	2: Modules of SPROUT
3: Example screen of HIPPO	4: Variants of template joining
5: Main algorithm	6: Skeleton in BFS
7: Skeleton in DFS	8: Connection of partial structures
9: Docking using Hierarchical Least Squares Fit	10: Penalty function optimization
11: Generated solutions	12: Clustering of solutions
13: Sorting of solutions	14: Acknowledgement