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Near-native structure refinement using in vacuo energy minimization

One of the greatest shortcomings of macromolecular energy minimization and molecular dynamics techniques is that they generally do not preserve the native structure of proteins as observed by x-ray crystallography. This deformation of the native structure means that these methods are not generally u...

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Autori principali: Summa, Christopher M., Levitt, Michael
Natura: Artigo
Lingua:Inglês
Pubblicazione: National Academy of Sciences 2007
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC1802011/
https://ncbi.nlm.nih.gov/pubmed/17360625
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0611593104
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