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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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| Veröffentlicht in: | Phys Chem Chem Phys |
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| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2020
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| Schlagworte: | |
| Online Zugang: | 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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