Mohammad Al Mamun | M.Sc. | Computational Molecular Modelling & Drug Research 

He is a researcher specializing in Computational Molecular Modelling, Pharmaceutical Sciences, and Rational Biomolecular Design, with a focus on developing computational strategies for next-generation drug discovery and targeted therapeutics. His current research is centered on the development of a Structure-Guided Inverse Molecular Design Framework (Version 1.0) for rational DNA aptamer engineering. Unlike conventional random-library approaches, this framework integrates protein structural architecture, molecular recognition hotspots, surface accessibility, and interaction landscapes to systematically derive aptamer motifs and candidate biomolecular architectures through an iterative computational workflow. The framework is currently being evaluated using secondary-structure prediction, molecular docking, molecular dynamics simulations, and binding-energy analyses, with the long-term objective of establishing reproducible principles of molecular recognition for rational biomolecular design. Following computational optimisation, it will be validated through in vitro and in vivo studies for applications in molecular diagnostics, targeted therapeutics, and precision medicine.
To date, he has authored 6 international publications, presented at 6 international scientific conferences, and received 250+ Google Scholar citations (h-index: 5). He is currently authoring a forthcoming book chapter entitled "Aptamer-Engineered Nanocarriers for Targeted Therapy: Emerging Approaches and AI-Integrated Next-Generation Drug Design," exploring the integration of DNA aptamers and AI-driven molecular design for next-generation targeted therapeutics.

Core Research Interests:
• Structure-Guided Inverse Molecular Design
• Computational Molecular Modelling
• Rational Biomolecular Engineering
• Computational Drug Discovery & Lead Optimization
• DNA Aptamer Engineering
• Molecular Docking & Molecular Dynamics Simulations
• AI-Assisted Molecular Design
• Translational Pharmaceutical Research

His long-term objective is to contribute to internationally collaborative research environments in which computational innovation is translated into experimentally validated diagnostic and therapeutic technologies. I welcome connections with researchers, principal investigators, pharmaceutical scientists, computational biology groups, and biotechnology organizations interested in collaborative research, biomolecular engineering, and next-generation drug discovery.

LinkedIn Profile: linkedin.com/in/mohammad-al-mamun-5035a7118

Google Scholar Profile: https://scholar.google.com/citations?hl=en&user=Lg-eDE8AAAAJ

Publications: 

1. https://www.sciencedirect.com/science/chapter/edited-volume/pii/B9780128149560000111

2. https://www.researchgate.net/profile/Nurul-Absar-4/publication/330106433_Major_nutritional_compositions_of_black_cumin_seeds-cultivated_in_Bangladesh_and_the_physicochemical_characteristics_of_its_oil/links/650f3ac4d5293c106cd8c2b6/Major-nutritional-compositions-of-black-cumin-seeds-cultivated-in-Bangladesh-and-the-physicochemical-characteristics-of-its-oil.pdf

3. https://scholar.google.com/scholar?cluster=5172007421510273931&hl=en&oi=scholarr

4. https://scholar.google.com/scholar?cluster=1679620283806528212&hl=en&oi=scholarr

5. https://hal.science/hal-03640335/

6. https://www.sciencedirect.com/science/chapter/edited-volume/pii/B9780081018927000092

7. https://scholar.google.com/scholar?cluster=8205302810957713885&hl=en&oi=scholarr

8. https://banglajol.info/index.php/UHJ/article/view/62674

9. https://banglajol.info/index.php/UHJ/article/view/10209