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How Ligand Protonation State Controls Water in Protein-Ligand Binding
The role of water in protein-ligand binding has been an intensely studied topic in recent years; however, how ligand protonation state change perturbs water has not been considered. Here we show that water dynamics and interactions can be controlled by the protonation state of ligand using continuou...
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| Publicado no: | J Phys Chem Lett |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6467052/ https://ncbi.nlm.nih.gov/pubmed/30188715 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b02440 |
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