Učitavanje...
Improved Ligand-Protein Binding Affinity Predictions Using Multiple Binding Modes
Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challenge in the lead optimization stage in drug development. In general, docking and scoring functions perform unsatisfactorily in this application. Docking calculations, followed by molecular dynamics sim...
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| Glavni autori: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
The Biophysical Society
2010
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2877349/ https://ncbi.nlm.nih.gov/pubmed/20513413 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.02.034 |
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