Muhammad Shafiq

Biography

I am a dedicated researcher at the forefront of computational chemistry and drug discovery, driven by a passion for transforming cutting-edge science into real-world applications. Having a comprehensive research experience from the H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences (ICCBS), University of Karachi, my work revolves around harnessing computational methodologies to decipher intricate molecular interactions, identify novel drug candidates, and advance innovations in healthcare and materials science.

With an M.Phil. in Computational Chemistry, my expertise spans multiple domains, including machine learning-driven drug discovery, structure-based investigation of novel kinase inhibitors, computational medicinal chemistry and computational materials science. My research contributions have been recognized through publications in esteemed scientific journals (see my publications).

I specialize in deep learning, molecular dynamics simulations, density functional theory (DFT), and advanced computational chemistry software, bringing a multidisciplinary approach to problem-solving. My professional journey has been defined by an eagerness to explore new frontiers in drug discovery, materials science, and computational modeling.

I am always open to collaborations, knowledge exchange, and interdisciplinary research opportunities—let’s connect and drive innovation together!