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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

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
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