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Simlulations and Electrostatics Training

Simulations

A general overview in the proper use of:

  • Energy calculations
  • Manual and automatic atom potential typing
  • Energy minimization
  • Molecular dynamics
  • Constraints
  • Solvation models
  • Trajectory analysis
  • Force field-based docking
  • Electrostatic calculations


Focus is on working through the following Discovery Studio interfaces:

  • CHARMm
  • DelPhi
  • CDOCKER

Duration: 2 days

 

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