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Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand library
A new approach to predicting the ligand-binding sites of proteins was developed, using protein-ligand docking computation. In this method, many compounds in a random library are docked onto the whole protein surface. We assumed that the true ligand-binding site would exhibit stronger affinity to the...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Wiley Subscription Services, Inc., A Wiley Company
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3047065/ https://ncbi.nlm.nih.gov/pubmed/21064162 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.540 |
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