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Preference of Small Molecules for Local Minimum Conformations when Binding to Proteins
It is well known that small molecules (ligands) do not necessarily adopt their lowest potential energy conformations when binding to proteins. Analyses of protein-bound ligand crystal structures have reportedly shown that many of them do not even adopt the conformations at local minima of their pote...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2007
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1959118/ https://www.ncbi.nlm.nih.gov/pubmed/17786192 http://dx.doi.org/10.1371/journal.pone.0000820 |