Simulating protein folding with full atomistic detail

Simulating protein folding with full atomistic detail

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Bibliographic Details
Other Authors: Pande, Vijay S. (Speaker)
Format: Electronic Video
Language:English
Published: London : Henry Stewart Talks, 2007.
Series:Henry Stewart talks. Biomedical & life sciences collection. Protein folding, aggregation and design : concepts, experiments, theories and mechanisms.
Subjects:
Computer Simulation.
Models, Molecular.
Protein Conformation.
Protein Folding.
Proteins.
Online Access:https://hstalks.com/bs/436/
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Table of Contents:
  • Contents: Protein folding and disease
  • Folding kinetics can have a biological impact
  • Why use physical simulation?
  • Primary challenges
  • Possible models
  • Building atomistic models
  • Modern force fields
  • Ways to treat water
  • Implicit solvent models
  • Critical evaluation of force fields
  • The sampling challenge
  • Grid computing methods for dynamics
  • What is the role of chemical detail?
  • Protein folding theories.

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