Digitally Pulling Proteins: Molecular Dynamics Simulations

June 12, 2014

3D model of a protein

Not all chemistry needs to be done on the bench. Dr. Rigoberto Hernandez discusses how molecular dynamics simulations, a kind of numerical experiment, can uncover the pathways and characterize the energetics of proteins as they are pulled apart.

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What You Will Learn:

  • Advances in the use of steered molecular dynamics to model peptides and proteins
  • About the energetics of alpha-helical peptides
  • How academic/industry collaborations can be win-win: advancing basic research, and responding to company interests

The Fine Print

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Rigoberto Hernandez
Georgia Institute of Technology