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- W1490359103 abstract "A novel, tailorable database docking program using a Genetic Algorithm (GA) approach as the final mesh in a “protein Structure Driven Database Screening” procedure, starting with UNITY as the widest mesh, is described. For test runs a small database containing co-crystallized inhibitors of the metalloprotease Thermolysin was used. First results from database searches and subsequent GA runs, influenced by the active site geometry showed that the involvement of attractive pseudo potentials improves significantly the accuracy of the docking procedure and looks as an ideal “secondary screening” regime leading to a much saver set selection." @default.
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- W1490359103 date "1997-06-12" @default.
- W1490359103 modified "2023-09-24" @default.
- W1490359103 title "On the Benefits of Attractive Pseudo-Potentials in a Genetic Algorithm Approach for Structure-Based Library Screening" @default.
- W1490359103 doi "https://doi.org/10.1002/9783906390406.ch11" @default.
- W1490359103 hasPublicationYear "1997" @default.
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