Registration for a live webinar on 'Innovative Vaccines and Viral Pathogenesis: Insights from Recent Monkeypox (Mpox) Research' is now open.
See webinar detailsWe noted you are experiencing viewing problems
-
Check with your IT department that JWPlatform, JWPlayer and Amazon AWS & CloudFront are not being blocked by your network. The relevant domains are *.jwplatform.com, *.jwpsrv.com, *.jwpcdn.com, jwpltx.com, jwpsrv.a.ssl.fastly.net, *.amazonaws.com and *.cloudfront.net. The relevant ports are 80 and 443.
-
Check the following talk links to see which ones work correctly:
Auto Mode
HTTP Progressive Download Send us your results from the above test links at access@hstalks.com and we will contact you with further advice on troubleshooting your viewing problems. -
No luck yet? More tips for troubleshooting viewing issues
-
Contact HST Support access@hstalks.com
-
Please review our troubleshooting guide for tips and advice on resolving your viewing problems.
-
For additional help, please don't hesitate to contact HST support access@hstalks.com
We hope you have enjoyed this limited-length demo
This is a limited length demo talk; you may
login or
review methods of
obtaining more access.
- Introduction to Protein Folding and Misfolding
-
1. Protein folding and misfolding: from theory to therapy
- Prof. Christopher Dobson
- Stability and Kinetics of Protein Folding
-
2. Mechanisms of protein folding reactions
- Prof. Thomas Kiefhaber
- Protein Folding Theory
-
3. Mapping disordered proteins with single-molecule FRET
- Dr. Hagen Hofmann
- Protein Folding Simulations
-
4. Protein folding
- Prof. Eugene Shakhnovich
-
5. Simulating protein folding with full atomistic detail
- Prof. Vijay Pande
-
6. Molecular dynamics simulations of protein dynamics, unfolding and misfolding
- Prof. Valerie Daggett
- Protein Folding Inside the Cell: Chaperones
-
7. Protein folding Inside the cell: macromolecular crowding and protein aggregation
- Prof. Emeritus R. John Ellis
-
8. Chaperone mechanisms in cellular protein folding
- Prof. Dr. F. Ulrich Hartl
-
9. Quality control of proteins mislocalized to the cytosol
- Dr. Ramanujan Hegde
- Protein Misfolding and Disease
- Protein Design
-
11. Designing proteins with life sustaining activities 1
- Prof. Michael Hecht
-
12. Designing proteins with life sustaining activities 2
- Prof. Michael Hecht
-
13. Folding and design of helical repeat proteins
- Prof. Lynne Regan
-
14. Design and engineering of zinc-finger domains
- Prof. Jacqui Matthews
-
15. Prediction and design of protein structures and interactions
- Prof. David Baker
- Amyloid Fibrils: Structure, Formation and Nanotechnology
-
16. Amyloid fibrils as functional nanomaterials
- Prof. Juliet Gerrard
-
17. Functional amyloid fibrils from fungi and viruses
- Prof. Margaret Sunde
- Intrinsically disordered Proteins
-
18. Fuzzy protein theory for disordered proteins
- Prof. Monika Fuxreiter
- Intersection of RNA, translation and protein aggregation.
-
19. Expanding roles of RNA-binding proteins in neurodegenerative diseases
- Prof. Aaron D. Gitler
- Proteostasis
-
20. Adapting proteostasis to ameliorate aggregation-associated amyloid diseases
- Dr. Jeffery W. Kelly
- Archived Lectures *These may not cover the latest advances in the field
-
21. Amyloidosis: disease caused by amyloid
- Prof. Mark Pepys
-
22. Protein folding and dynamics from single molecule spectroscopy
- Prof. Dr. Benjamin Schuler
-
23. Prion diseases
- Prof. Fred Cohen
-
25. Titin I27: a protein with a complex folding landscape
- Dr. Jane Clarke
-
26. Novel proteins from designed combinatorial libraries
- Prof. Michael Hecht
-
28. The sequence determinants of amyloid fibril formation
- Prof. Fabrizio Chiti
Printable Handouts
Navigable Slide Index
- Introduction
- Content
- Methods - molecular mechanics force field
- Methods - molecular dynamics (MD)
- Native protein dynamics and function
- Dynamics is important for protein behavior
- Why molecular dynamics?
- Starting a molecular dynamics simulation
- Wild-type MD simulation 25 degrees c
- Mutants construction tests whether cleft forms
- Construction of cyt c - cyt b5 complexes
- Monitored changes in chemical shift of cyt b5
- Cleft allows electron transfer through a channel
- Native protein dynamics
- Protein unfolding
- Unfolding pathway of En-HD in water
- En-HD unfolding in C-alpha-RMSD space
- En-HD TS independent of T
- En-HD unfolds on same timescale
- Experiment and simulation for the TS of En-HD
- All 3 helices formed in intermediate
- X-ray scattering support U-shaped intermediate
- Protein unfolding
- Protein unfolding and disease
- Conformational changes lead to prion diseases
- Objectives for MD simulations
- Loose beta-structure forms at low pH
- Improvement of sheet packing
- Conversion of ShaPrP D147N
- Building a prion protofibril
- Interface forms continuous beta-sheet
- Addition of diglycosylated subunits
- Imaging of residues 141-176
- Imaging of the helices and sugars
- Unfolding and disease: prion protein
- Recap
- References for the studies presented (1)
- References for the studies presented (2)
- References for the studies presented (3)
Topics Covered
- Molecular mechanics force fields and starting structures
- Molecular dynamics (MD) simulations
- Native protein dynamics
- Protein unfolding
- Unfolding pathways of En-HD
- Protein unfolding and disease
- Objectives for MD simulations
Talk Citation
Daggett, V. (2007, October 1). Molecular dynamics simulations of protein dynamics, unfolding and misfolding [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved November 22, 2024, from https://doi.org/10.69645/WUAN4092.Export Citation (RIS)
Publication History
Financial Disclosures
- Prof. Valerie Daggett has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.
Hide