Structural biology and proteomics provide complementary views of biological processes at the cellular level. Structural biology is primarily concerned with the structure of biological macromolecules and their complexes as well as the physicochemical interactions they support. Proteomics, on the other hand, tends to take a broader view of how proteins communicate and function within the cell, often involving a large number of proteins interacting in pathways or addressing how groups of proteins work together as a function of time and/or subcellular location. Understanding the molecular interactions between proteins at the atomic level is of immense utility; however, it is critical to understand the broader context of how these pathways function and change with differing levels of expression and copy number, and how they are controlled by inhibition, activation and feedback loops.
Given the complementary nature of these approaches, it would seem natural to use some in silico tools that would support the interactive exploration of structural biology within the context of the proteome and of the results of proteomics experiments from a structural perspective.
The current training programme is designed especially for the biologists so as to acquaint them with fundamentals of computational tools that may be used to understand and decipher biomolecular interactions. The key topics include:
- Visualization and prediction of protein structures.
- Introduction to computer-aided drug designing, properties and drug-likeness of small molecules.
- Quantitative Structure Activity Relationship (QSAR), target-based drug designing.
- Ligand-based drug designing: Protein–ligand interaction using docking.
- Hands on sessions with molecular dynamics simulations.
N.B. More emphasis will be given on hands-on sessions with an aim to develop practical skills on tools and techniques employed in Computer-Aided Drug Designing.
A total of 20 participants will be selected for the training on first come first served basis. Teachers, scientists and research scholars may apply for participation in the prescribed format on or before 3rd February, 2020.
Accommodation may be provided to a limited number of participants in the university guesthouse subject to availability.
Assistant Professor, 
