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- W2949203593 abstract "• Macromolecular subatomic resolution structure characterization promises to provide new insight into the structure–function relationships of biomacromolecules. • The frequency of subatomic resolution entries in the Protein Data Bank is rapidly increasing. • Chemically relevant details including electron deformation and hydrogen positions are achievable in the most favorable cases. • New refinement protocols relying on quantum mechanical methods may help extract further details from subatomic resolution structures. Subatomic resolution macromolecular crystallography has been revealing the most fascinating details of macromolecular structures for many years. This most extreme form of macromolecular crystallography is going through rapid changes. A new generation of superbrilliant X-ray sources and detectors is facilitating the rapid acquisition of high-quality datasets. Equally important, a new breed of methods and highly integrated advanced computational tools for structure refinement and analysis is poised to change the way we use subatomic resolution data and reposition high-resolution macromolecular crystallography in medicinal chemistry studies. Subatomic resolution macromolecular crystallography may soon be a routine source of detailed molecular information besides precise geometries, including binding energies and other chemical descriptors, opening new possibilities of application." @default.
- W2949203593 created "2019-06-27" @default.
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- W2949203593 date "2019-10-01" @default.
- W2949203593 modified "2023-09-24" @default.
- W2949203593 title "The upcoming subatomic resolution revolution" @default.
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- W2949203593 doi "https://doi.org/10.1016/j.sbi.2019.05.013" @default.
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