Integrated PhD in Bioinformatics

I am a bioinformatics researcher with a strong interdisciplinary background in network pharmacology, molecular docking, and molecular dynamics (MD) simulations. My research journey began with the application of network pharmacology approaches to explore the anticancer potential of natural compounds, particularly focusing on Nigella sativa in the context of non-small cell lung cancer (NSCLC). This work integrated compound-target network construction, KEGG pathway enrichment, and molecular docking validation to uncover key mechanisms underlying multi-targeted therapeutic actions. Currently, my focus has expanded toward the algorithmic foundations and comparative performance evaluation of various docking and MD simulation software. I am actively investigating AI-integrated frameworks like DeepMD alongside traditional tools such as GROMACS and Schrodinger, assessing their accuracy, computational efficiency, and applicability to large biomolecular systems. My work aims to bridge computational algorithm design with experimental relevance by ensuring better predictive modeling in protein-ligand interaction studies. In addition to my academic pursuits, I am honored to serve as the President of the Society of Nepalese Students in Korea (SONSIK), where I lead initiatives to promote academic collaboration, cultural exchange, and student welfare among Nepalese scholars across South Korea. I am committed to advancing computational pharmacology and algorithmic molecular sciences, with a long-term vision of contributing to precision medicine and rational drug discovery.