Published June 6, 2026
| Version V1.0.1
Journal article
Open
3CLpro-inhibitor-dynamics-19F_analysis
- 1. Rensselaer Polytechnic Institute / RPI
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2.
Rensselaer Polytechnic Institute
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3.
Rutgers, The State University of New Jersey
Description
Python scripts for analyzing 19F NMR lineshape data to characterize the conformational exchange of SARS-CoV-2 3CLpro inhibitors. This includes global lineshape fitting, thermodynamic analysis, kinetic analysis, and EXSY validation.
Files
MontelioneLab/3CLpro-inhibitor-dynamics-19F_analysis-V1.0.1.zip
Files
(128.9 MB)
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md5:ecb7e35bc8c0189227e8f6f12d72566e
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Additional details
Related works
- Is supplement to
- Software: https://github.com/MontelioneLab/3CLpro-inhibitor-dynamics-19F_analysis/tree/V1.0.1 (URL)