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Talk- Adam Green

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What
  • cmb seminar
When Apr 02, 2018
from 11:00 AM to 12:30 PM
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Corpora non agunt nisi fixata

 

A substance such as a drug or ligand is not active in a living cell unless it is bound by a protein (a receptor). This was a famous maxim from Paul Ehrlich in 1913 to explain the importance of molecular recognition in biological systems. In this talk, I will further demonstrate this maxim to be true by examining the binding of antibiotics and efflux pump inhibitors (EPIs) to the Escherichia coli AcrABTolC efflux pump and then relate binding to the in vivo activity of efflux. I have used a combination of molecular docking calculations, free energy simulations, and molecular dynamic simulations.

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