Restraint Validation of Biomolecular Structures Determined by NMR in the Protein Data Bank.

Kumaran Baskaran Eliza Ploskon Roberto Tejero Masashi Yokochi Deborah Harrus Yu-He Liang Ezra Peisach Irina Persikova Theresa A Ramelot Monica Sekharan James Tolchard John D Westbrook Benjamin Bardiaux Charles D Schwieters Ardan Patwardhan Sameer Velankar Stephen K Burley Genji Kurisu Jeffrey C Hoch Gaetano T Montelione Geerten W Vuister Jasmine Y Young

Published in: bioRxiv : the preprint server for biology (2024)

PDB Structure Validation Report expanded to include Restraint AnalysisNMR Exchange Format (NEF) and NMR-STAR for distance restraint representationStandard distance and dihedral restraint formats for model vs. restraint assessmentStandardized restraint formats provide interoperability between modeling programs.

Keyphrases

stress induced
high resolution
magnetic resonance
electronic health record
solid state
mass spectrometry
big data
small molecule
machine learning
binding protein
artificial intelligence
data analysis