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Docking and scoring with ICM: the benchmarking results and strategies for improvement
Flexible docking and scoring using the Internal Coordinate Mechanics software (ICM) was benchmarked for ligand binding mode prediction against the 85 co-crystal structures in the modified Astex data set. The ICM virtual ligand screening was tested against the 40 DUD target benchmarks and 11-target W...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3398187/ https://ncbi.nlm.nih.gov/pubmed/22569591 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-012-9547-0 |
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