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Mimicking titration experiments with MD simulations: A protocol for the investigation of pH-dependent effects on proteins
Protein structure and function are highly dependent on the environmental pH. However, the temporal or spatial resolution of experimental approaches hampers direct observation of pH-induced conformational changes at the atomic level. Molecular dynamics (MD) simulation strategies (e.g. constant pH MD)...
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| Publicado no: | Sci Rep |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4776130/ https://ncbi.nlm.nih.gov/pubmed/26936826 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep22523 |
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