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Contact-based ligand-clustering approach for the identification of active compounds in virtual screening
Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Dove Medical Press
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3459543/ https://ncbi.nlm.nih.gov/pubmed/23055752 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2147/AABC.S30881 |
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