Anandarup Centre

The Power of Bioinformatics

Bioinformatics is at the heart of our research. We harness the computational power to analyze vast biological datasets, from genomics to proteomics. By identifying patterns and relationships within this data, we gain insights into the fundamental mechanisms of life, evolution, and disease.

Molecular Docking

Molecular docking is a computational technique used to predict and analyze the binding between a small molecule (ligand) and a target protein or nucleic acid (receptor). By simulating their interactions at the atomic level, molecular docking provides valuable insights into how a ligand binds to its target and helps in the design and optimization of new drugs.

The process of molecular docking involves generating multiple conformations of the ligand and receptor, exploring various orientations and conformations to find the best fit. By evaluating the binding affinity and scoring the generated complexes, researchers can identify potential drug candidates and optimize their binding interactions.

Molecular docking plays a crucial role in drug discovery, as it allows scientists to computationally screen large databases of compounds and identify molecules with the potential to bind to specific target proteins. This enables the discovery of new drug candidates, optimization of existing drugs, and understanding of ligand-receptor interactions at the molecular level.

With the continuous advancements in computational power and algorithms, molecular docking has become an indispensable tool in the field of drug discovery, facilitating the design of more effective and targeted therapeutic interventions.

Molecular Dynamics (MD) Simulations

Through cutting-edge molecular dynamics (MD) simulations, we bring molecules to life in a digital realm. These simulations allow us to study the dynamic behavior of biomolecules, understand their interactions, and explore the consequences of genetic mutations and environmental influences.

Education and Collaboration

We are committed to fostering collaboration and knowledge sharing. Our centre hosts workshops, project work, internship training, and also collaborative projects that bring together scientists, researchers, and students from diverse disciplines to explore the frontiers of bioinformatics, molecular docking and molecular dynamics simulations.