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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Fenn, Timothy D., Schnieders, Michael J., Mustyakimov, Marat, Wu, Chuanjie, Langan, Paul, Pande, Vijay S., Brunger, Axel T.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2011
Pynciau:
Mynediad Ar-lein: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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