A Guide to Biomolecular Simulations [E-Book] / by Oren M. Becker, Martin Karplus.
Becker, Oren M. (author)
Karplus, Martin. (author)
Dordrecht : Springer Netherlands, 2006
IX, 203 p. online resource.
Focus on Structural Biology ; 4
Full Text
Table of Contents:
  • 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.