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Molecular Dynamics Simulations

At the University of Medicine & Pharmacy HCMC in Vietnam, I worked on a computational chemistry project under Professor Khac-Thai Minh. Efflux pump is a protein complex that allows bacteria to remove toxins, which can contribute to dangerous antibiotic resistance. My project involved using Molecular Dynamics simulation (GROMACs) to study different molecules that can act as inhibitors to a particular efflux pump in certain bateria. Personally, this was a very interesting cross-displicinary experience and it was also one of my first exposure to computational research!

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You can find the link to my co-authored papers here and here!

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