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Importance of Ligand Reorganization Free Energy in Protein-Ligand Binding-Affinity Prediction
Accurate prediction of the binding affinities of small-molecule ligands to their biological targets is fundamental for structure-based drug design but remains a very challenging task. In this paper, we have performed computational studies to predict the binding models of 31 small-molecule Smac (the...
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| Autori principali: | , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2009
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2773700/ https://ncbi.nlm.nih.gov/pubmed/19736924 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja9039373 |
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