The main research interest in the MMDDL is drug design, discovery and development through integrated computational-experimental studies. In the last few decades, the post genomics era has brought a basic change in the way of traditional drug discovery, where computational based techniques have now taken a part in the drug discovery and development process. All the major pharmaceutical and biotechnology companies in the world use computational tools, as it is more time convenient and cost effective. Computer aided drug design allows to virtual screening, the in silico analog of high-throughput screening, offers great promise for systematic evaluation of huge chemical libraries to identify potential lead candidates that can be synthesized and tested. The research activity of Molecular Modeling and Drug Design laboratory in BCSIR Chittagong, therefore facilitates the design and development of potential drugs active against therapeutic targets of pharmaceutical interest like DNA, RNA, Protein, enzyme, by means of molecular modeling and drug design. Cutting aged drug design techniques like Ligand based, structure based and De Novo based approaches are applied to find out the potential candidate ligand. The Laboratory is also fully integrated with new methodologies like classical and ab-initio based dynamics simulations, a computational approach important for predicting the three-dimensional structures of macromolecular complexes. These simulations are used to study the structures of target-ligand complexes with the aim of understanding sequence-structure-activity relationships and performing ligand design. In addition, the research activity is also followed by compound screening and in vitro drug validation. These in vitro validated drugs are then tested as cell-based therapies in humanized mouse models.