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FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spots
Computational solvent mapping finds binding hot spots, determines their druggability and provides information for drug design. While mapping of a ligand-bound structure yields more accurate results, usually the apo structure serves as the starting point in design. The FTFlex algorithm, implemented a...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3634182/ https://ncbi.nlm.nih.gov/pubmed/23476022 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btt102 |
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