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Direct comparison of amino acid and salt interactions with double-stranded and single-stranded DNA from explicit-solvent molecular dynamics simulations

Given the ubiquitous nature of protein-DNA interactions, it is important to understand the interaction thermodynamics of individual amino acid sidechains for DNA. One way to assess these preferences is to perform molecular dynamics (MD) simulations. Here we report MD simulations of twenty amino acid...

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Pubblicato in:J Chem Theory Comput
Autori principali: Andrews, Casey T., Campbell, Brady A., Elcock, Adrian H.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2017
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5543776/
https://ncbi.nlm.nih.gov/pubmed/28288277
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00883
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