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Customizing Scoring Functions for Docking
Empirical scoring functions used in protein-ligand docking calculations are typically trained on a dataset of complexes with known affinities with the aim of generalizing across different docking applications. We report a novel method of scoring-function optimization that supports the use of additio...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2008
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3108487/ https://ncbi.nlm.nih.gov/pubmed/18273558 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-008-9174-y |
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