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Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates
There are numerous applications that use the structures of protein-ligand complexes from the PDB, such as 3D pharmacophore identification, virtual screening, and fragment-based drug design. The structures underlying these applications are potentially much more informative if they contain biologicall...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Cell Press
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5890617/ https://www.ncbi.nlm.nih.gov/pubmed/29551288 http://dx.doi.org/10.1016/j.str.2018.02.009 |