About

I am Bushra Shakoor, a passionate researcher currently pursuing my PhD in Chemistry. My academic path has been shaped by a strong interest in understanding the fundamental principles of molecular science and applying them to solve complex scientific questions. Over the course of my studies, I have developed a deep appreciation for the role of research in driving innovation, advancing knowledge, and creating meaningful contributions to the scientific community.
My doctoral journey reflects not only a commitment to academic excellence but also a dedication to continuous learning, critical thinking, and the pursuit of discovery. I value collaboration, innovation, and precision, which allow me to grow as a researcher while contributing to projects that have the potential to make an impact. Through my PhD work, I aim to strengthen my ability to combine creativity with scientific rigor, while preparing myself for a career that bridges advanced research with real-world applications.

Areas of Interest

My expertise lies in the field of computational chemistry where I employ advanced theoretical and modeling approaches to investigate molecular structures interactions and properties. I have experience in applying density functional theory (DFT) for electronic structure and reactivity analysis as well as using molecular docking and molecular dynamics simulations to evaluate protein–ligand binding and stability. In addition I work with 3D-QSAR modeling to establish structure–activity relationships that guide rational drug design and I utilize ADME and pharmacokinetic profiling to predict drug-likeness and optimize candidate compounds. My research further extends to toxicity prediction and lead refinement ensuring the design of safer and more effective molecules. By integrating these computational techniques I aim to contribute to the advancement of drug discovery and molecular design bridging theoretical insights with practical scientific applications.