Computational Molecular Engineering Lab
Where advanced computational science transforms complex molecular challenges into real-world solutions
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What is CMEL?
Welcome to the Computational Molecular Engineering Lab (CMEL)—where cutting-edge simulations meet molecular innovation. We specialize in molecular modelling and simulation to accelerate discovery in pharmaceuticals, biotechnology, and advanced materials.
Our interdisciplinary team transforms complex molecular data into actionable insights, driving breakthroughs in materials science, drug discovery, and beyond. Join us as we engineer the molecular future.
Our Research Areas

Protein Simulations
Our high-resolution simulations capture protein dynamics, revealing the intricacies of folding and interactions to drive insights in drug discovery and bioengineering.

Self-assembling Structures
We explore how molecules spontaneously organize into complex, functional forms—unlocking new avenues for designing innovative materials and nanostructures.

DNA-drug Interactions
We model the detailed interplay between DNA and therapeutic compounds, illuminating binding mechanisms that pave the way for targeted, effective treatments.

And more...
Beyond our core areas, our interdisciplinary team is ready to tackle any computational challenge—tailoring solutions to meet your unique research needs.