I, Mohd Rehan, holding a Ph.D., am currently an Associate Professor in King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Saudi Arabia. My expertise encompasses a wide range of computational and AI-driven techniques, including molecular modeling, docking, molecular dynamics simulations, pharmacophore modeling, SAR/QSAR analysis, and machine learning/deep learning approaches for drug discovery. I leverage artificial intelligence to enhance predictive accuracy in structure-activity relationships, optimize docking outcomes, and streamline molecular simulations. Collaborating closely with experimental scientists, my research focuses on the discovery and development of novel therapeutic candidates by unraveling the complex interplay between protein sequence, structure, and function—ultimately contributing to more effective treatment strategies and next-generation drug design. Before earning my Ph.D., I completed dual master's degrees—an M.Tech. in Computational Biology, in which I graduated as the top-ranked student, and an M.Sc. in Biotechnology. I have published 65 articles in reputed international journals, including 21 as corresponding author and 18 as first author, with 12 of these as both first and corresponding author. My research has been presented at eight international conferences through oral and poster presentations. My work has received 2,131 citations on Google Scholar, with an h-index of 24 and an i10-index of 44. I was one of four students globally selected for the prestigious ISCB Student Council Internship 2010 Award, which I completed at the Technical University of Munich in the lab of Prof. Burkhard Rost, then President of ISCB. I was also awarded the ISCB Student Council Travel Fellowship in 2011, as one of 12 globally selected students, to present at the ISCB Student Council Symposium and ISMB/ECCB 2011 in Vienna, Austria. In addition, I qualified for the Bioinformatics National Certification Examination (BINC) in 2009—an initiative of the Department of Biotechnology, Government of India, to certify skilled bioinformaticians. I serve as an Academic Editor for PLOS ONE and as an Editorial Board Member for Current Chinese Science: Bioinformatics. I have peer-reviewed over 50 manuscripts for journals including Scientific Reports (Nature), PLOS, ACS Publications, Medicinal Chemistry Research, Bentham Open, Taylor & Francis, MDPI (e.g., Biomedicines, IJMS, Pharmaceutics), and F1000Research, and have also reviewed scientific grants and theses. Additionally, I have handled several manuscripts in my capacity as an academic editor. My long-term professional goals focus on advancing computational drug discovery, with particular emphasis on AI-driven methodologies for identifying novel therapeutic targets and drug candidates; I aim to further integrate multi-omics data, machine learning models, and structure-based techniques to accelerate the development of precision medicine solutions. In addition to publishing 65 peer-reviewed manuscripts and serving as an academic editor and reviewer for multiple international journals, I have mentored 12 students, presented at various international conferences, and successfully secured 26 research grants—22 of which are completed and 4 ongoing. My collaborative work spans national and international institutions, and I have also served as a consultant in several funded projects. These experiences have honed my leadership, project management, mentoring, and communication skills, while also strengthening my ability to collaborate across disciplines, solve complex research problems, and actively listen and engage in productive scientific dialogue. Outside of my academic and professional pursuits, I enjoy visiting new places and meeting new people, as well as engaging in sports such as badminton, table tennis, and volleyball. I also find great fulfillment in teaching, presenting my work at conferences, reading, and watching movies.