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NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations

Over the last two decades, both the sensitivity of NMR and the time scale of Molecular Dynamics (MD) simulation have increased tremendously and have advanced the field of protein dynamics. HIV-1 protease has been extensively studied using these two methods, and has presented a framework for cross-ev...

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Publicado en:J Biomol NMR
Autores principales: Ishima, Rieko, Kurt-Yilmaz, Nese, Schiffer, Celia A.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2019
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6941145/
https://ncbi.nlm.nih.gov/pubmed/31243634
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-019-00260-6
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