Isothermal Titration Calorimetry of fragments and Nsp3 macrodomain of SARS-CoV-2

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: [e-mail]