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On the Polarization of Ligands by Proteins()
Although ligand-binding sites in many proteins contain a high number density of charged side chains that can polarize small organic molecules and influence binding, the magnitude of this effect has not been studied in many systems. Here, we use a quantum mechanics/molecular mechanics (QM/MM) approac...
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| Publicado no: | Phys Chem Chem Phys |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8118567/ https://ncbi.nlm.nih.gov/pubmed/32421120 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0cp00376j |
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