Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis
Author:
Affiliation:
1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
2. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Funder
National Institute of Environmental Health Sciences
Burroughs Wellcome Fund
Research Support Committee, Massachusetts Institute of Technology
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00144
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1. Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
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5. The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
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