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Iterative Knowledge-based Scoring Functions Derived from Rigid and Flexible Decoy Structures: Evaluation with the 2013 and 2014 CSAR Benchmarks
In this study, we developed two sets of iterative knowledge-based scoring functions, ITScore_pdbbind(rigid) and ITScore_pdbbind(flex), using the rigid decoy structures and flexible decoy structures that were generated based on the protein-ligand complexes in the refined set of PDBbind 2012, respecti...
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| Publicado no: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5130226/ https://ncbi.nlm.nih.gov/pubmed/26389744 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.5b00504 |
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