Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that...

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Detaylı Bibliyografya
Asıl Yazarlar: Fenn, Timothy D., Schnieders, Michael J., Mustyakimov, Marat, Wu, Chuanjie, Langan, Paul, Pande, Vijay S., Brunger, Axel T.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2011
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Article
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3083928/
https://ncbi.nlm.nih.gov/pubmed/21481775
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.str.2011.01.015
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