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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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| Gepubliceerd in: | J Chem Phys |
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| Hoofdauteurs: | , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
AIP Publishing LLC
2017
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| Onderwerpen: | |
| Online toegang: | 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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