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Quasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations

Positional fluctuations of an atom in a protein can be described as motion in an effective local energy minimum created by the surrounding protein atoms. The dependence of atomic fluctuations on both temperature (T) and pressure (P) has been used to probe the nature of these minima, which are genera...

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Bibliografiset tiedot
Julkaisussa:J Chem Phys
Päätekijät: Rodgers, Jocelyn M., Hemley, Russell J., Ichiye, Toshiko
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: AIP Publishing LLC 2017
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC5942443/
https://ncbi.nlm.nih.gov/pubmed/28964004
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5003823
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