Touchdown: Drug Discovery for Translational Application #6

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molecular model of a protein surrounded by blue

Rameen Shakur, Arijit Basu, Arnab Rudra

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molecular model of a protein surrounded by blue

In this picture using molecular dynamics and simulations taken from  experimental data we confirm how the drug (in yellow)  is binding onto this human protein called JNK1 directly. This is the first time a drug has been found that is able to bind and effect this protein pivotal for cell survival in cancers.