Guide to Biomolecular Simulations

Molecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role. Over the years, such simulations have become a central part of biophysics. Appl...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Becker, Oren M. (Autor), Karplus, Martin (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht : Springer Netherlands : Imprint: Springer, 2006.
Edición:1st ed. 2006.
Colección:Focus on Structural Biology, 4
Temas:
Chemistry-Data processing.
Bioinformatics.
Biophysics.
Chemistry, Physical and theoretical.
Computational Chemistry.
Computational and Systems Biology.
Theoretical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Introduction: Note to the Student
  • Introduction: Note to the Instructor
  • Introduction: UNIX
  • Introduction: CHARMM Primer
  • Introduction: CHARMM Template Files
  • Molecular Visualization
  • Energy and Minimization
  • Minimization and Analysis
  • Conformational Analysis
  • Basic Molecular Dynamics in Vacuum and in Solution
  • Molecular Dynamics and Analysis
  • Ligand Dynamics in Myoglobin
  • Normal Mode Analysis
  • Free Energy Calculations
  • Minimum Energy Paths and Transition States
  • Multiple Copy Simultaneous Search
  • Hemoglobin Cooperativity: the T-R Transition.

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