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POVME: An Algorithm for Measuring Binding-Pocket Volumes
Researchers engaged in computer-aided drug design often wish to measure the volume of a ligand-binding pocket in order to predict pharmacology. We have recently developed a simple algorithm, called POVME (POcket Volume MEasurer), for this purpose. POVME is Python implemented, fast, and freely availa...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3063076/ https://ncbi.nlm.nih.gov/pubmed/21147010 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.10.007 |
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