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Transferable aspherical atom model refinement of protein and DNA structures against ultrahigh-resolution X-ray data

In contrast to the independent-atom model (IAM), in which all atoms are assumed to be spherical and neutral, the transferable aspherical atom model (TAAM) takes into account the deformed valence charge density resulting from chemical bond formation and the presence of lone electron pairs. Both model...

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Vydáno v:Acta Crystallogr D Struct Biol
Hlavní autoři: Malinska, Maura, Dauter, Zbigniew
Médium: Artigo
Jazyk:Inglês
Vydáno: International Union of Crystallography 2016
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4908868/
https://ncbi.nlm.nih.gov/pubmed/27303797
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2059798316006355
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