Journal
CURRENT OPINION IN STRUCTURAL BIOLOGY
Volume 23, Issue 2, Pages 172-176Publisher
CURRENT BIOLOGY LTD
DOI: 10.1016/j.sbi.2013.01.007
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Funding
- NIH [GM45811]
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R01GM045811] Funding Source: NIH RePORTER
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NMR chemical shifts are sensitive probes of structure and dynamics in proteins. Empirical models, based on a large database of measured shifts, take an input structure and provide increasingly accurate estimates of the corresponding shifts. Quantum chemical calculations can provide the same information, with greater generality but (currently) with less accuracy. These methods are now providing new ways to approach NMR structure determination, and new insights into the conformational dynamics of proteins.
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