NMR in the Cloud: Resources for Moving Biomolecular NMR Research to the cloud
Editat de Jeffrey Hochen Limba Engleză Paperback – 28 feb 2025
The book is structured around four parts. The first introduces reproducible computing for Bio-NMR, and collaborative computing tools. Part two presents online NMR platforms, including WeNMR, SB Grid, BMBR, Scientific Cloud Computing tools, and data Stewardship. The third part covers NMR specific online tools, including NMRfx, NMRPipe, NMRFAM-SPARKY, MNova, Chemical Shift Prediction, Peak Assignment, SPINACH, GISSMO, CSRosetta, NMR Metabolomics, Protein Structure Prediction, and reproducibility in the cloud environment. Part four presents case studies that help researchers envision how to select and deploy these tools to make their biological quest more productive and impactful.
Biomolecular researchers will benefit from this book by gaining insights into selecting and using these analytical tools in the most productive way. Core Bio-NMR Managers may as well benefit from offering the book as reference for their customers.
- Provides an overview of the most current and powerful cloud-based analytical tools
- Presents case studies of research projects that incorporated the tools successfully
- Discusses research data stewardship and governance
- Provides an extensive list of tools with key decision factors in its adoption
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Specificații
ISBN-13: 9780323905596
ISBN-10: 0323905595
Pagini: 266
Ilustrații: 80 illustrations (50 in full color)
Dimensiuni: 151 x 229 mm
Editura: ELSEVIER SCIENCE
ISBN-10: 0323905595
Pagini: 266
Ilustrații: 80 illustrations (50 in full color)
Dimensiuni: 151 x 229 mm
Editura: ELSEVIER SCIENCE
Cuprins
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
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