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Assessment of Programs for Ligand Binding Affinity Prediction
The prediction of the binding free energy between a ligand and a protein is an important component in the virtual screening and lead optimization of ligands for drug discovery. To determine the quality of current binding free energy estimation programs, we examined FlexX, X-Score, AutoDock and BLEEP...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2702145/ https://ncbi.nlm.nih.gov/pubmed/18172838 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.20893 |
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