Dataset Open Access
Isothermal Titration Calorimetry of fragments and Nsp3 macrodomain of SARS-CoV-2
Roberto Efraín Díaz;
James S. Fraser
This directory contains all files required to analyze the Isothermal Titration Calorimetry (ITC) data presented in the manuscript.
ITC was performed using a MicroCal iTC200 and data was previewed using Origin (https://www.originlab.com). Analysis was performed using RITC (https://rdrr.io/cran/Ritc/)
Files included in this directory:
Data_Summary.xlsx
- tracking sheet of all ITC experiments performed for manuscript.
- includes information on experimental conditions for individual experiments.
Docking Fragments
- contains sub-directories for each compound tested by ITC. Each sub-directory contains raw ITC files (.itc), Origin Project files (.OPJ), images of isotherm (.png), and experimental values for analysis (.csv).
Figures
- contains images of isotherm (.png) and experimental values for analysis (.csv) for all compounds reported. Figures (.png) as shown in manuscript appear in sub-directory "
/summarised_fits.csv
- reports R^2, Ka, ∆H, and Heat of Dilution for each compound analyzed using RITC.
Contact:
roberto.diaz@ucsf.edu
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- Publication date:
- April 14, 2021
- DOI:
-
- Published in:
- Science Advances: 7 (16).
- Related identifiers:
- Supplement to
- 10.1101/2020.11.24.393405v1 (Preprint)
- 10.1126/sciadv.abf8711 (Journal article)
- License (for files):
- Creative Commons Attribution 4.0 International