Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis
We investigate unexpectedly short non-covalent distances (<85% of the sum of van der Waals radii) in X-ray crystal structures of proteins. We curate over 11 000 high-quality protein crystal structures and an ultra-high-resolution (1.2 Å or better) subset containing >900 structures. Although o...
Main Authors: | Qi, Helena W. (Author), Kulik, Heather J. (Author) |
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Other Authors: | Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Chemistry (Contributor) |
Format: | Article |
Language: | English |
Published: |
American Chemical Society (ACS),
2021-04-27T19:20:01Z.
|
Subjects: | |
Online Access: | Get fulltext |
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