Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries
Current fragment-based drug design relies on the efficient exploration of chemical space by using structurally diverse libraries of small fragments. However, structurally dissimilar compounds can exploit the same interactions, and thus be functionally similar. Using 3D structures of many fragments b...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Chemical Society
2022
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