NMR in the Cloud

Part I Introduction1. Reproducible Computing for Bio-NMR: NMRbox2. Collaborative Computing Project for NMR

Part II Online Platforms3. WeNMR4. SB-Grid5. Biological Magnetic Resonance Data Bank6. Resources for Online Training7. Resources for Remote Collaboration8. Scientific Cloud Computing9. Data Stewardship

Part III NMR Online Tools10. NMRfx11. NMRPipe12. NMRFAM-SPARKY13. MNova14. Chemical Shift Prediction (possible contributors)15. Peak Assignment16. Spin Simulation Using SPINACH17. Spin Modeling with GISSMO18. Deconvolving 2D Spectra for Complex Mixtures19. Relaxation and Rate Analysis (possible contributors)20. CS-Rosetta21. NMR Metabolomics22. Protein Structure Prediction23. Reproducibility in the Cloud

Part IV Case Studies24. Case Study: Covid-19 NMR Consortium25. Case Study: NUScon26. Case Study: NMRFAM Workshop27. Case Study: ICMRBS virtual seminars

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• Biologia Celular (citologia)
• Ressonância magnética nuclear (RMN / RM)

NMR spectroscopy; structural biology; protein dynamics; disordered proteins; drug discovery; metabolomics; NMR data processing; spectral simulation