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Does a More Precise Chemical Description of Protein–Ligand Complexes Lead to More Accurate Prediction of Binding Affinity?
[Image: see text] Predicting the binding affinities of large sets of diverse molecules against a range of macromolecular targets is an extremely challenging task. The scoring functions that attempt such computational prediction are essential for exploiting and analyzing the outputs of docking, which...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Chemical
Society
2014
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3966527/ https://ncbi.nlm.nih.gov/pubmed/24528282 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500091r |
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