A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
The file type is application/pdf
.
Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins
2011
Proteins: Structure, Function, and Bioinformatics
Despite the many protein structures solved successfully by nuclear magnetic resonance (NMR) spectroscopy, quality control of NMR structures is still by far not as well established and standardized as in crystallography. Therefore, there is still the need for new, independent, and unbiased evaluation tools to identify problematic parts and in the best case also to give guidelines that how to fix them. We present here, quantum chemical calculations of NMR chemical shifts for many proteins based
doi:10.1002/prot.23041
pmid:21557322
fatcat:mryoggepbjftvfkjuap25nqcuy