Improving Docking Performance Using Negative Image-Based Rescoring
Despite the large computational costs of molecular docking, the default scoring functions are often unable to recognize the active hits from the inactive molecules in large-scale virtual screening experiments. Thus, even though a correct binding pose might be sampled during the docking, the active c...
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| Main Authors: | , , , , , |
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| Format: | Book |
| Published: |
Frontiers Media S.A.,
2018-03-01T00:00:00Z.
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| Online Access: | Connect to this object online. |
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