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Dr. Chandra Verma
Head of Division
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Research Overview
The Biomolecular Modelling and Design Group is involved in unraveling the fundamental links between sequence, structure, dynamics and biological functions of molecules such as proteins. Recent advances in computational approaches, in conjunction with data obtained from various experimental techniques, have provided detailed atomistic insights into biological complexity. The group's approach follows this philosophy - to be tightly coupled to experimental laboratories such that testable hypotheses are generated and a feedback mechanism of predictions and validations exists between the groups. To generate hypotheses about biomolecular functions, we model both evolutionary as well as physical behaviour. The hierarchy of methods, ranging from fast low resolution (evolutionary/comparative analysis) methods to detailed microscopic analysis (docking/electrostatics/Molecular Dynamics/Normal Mode Analysis/Reaction Paths), leads to focused groundwork for experiments to establish the molecule's role in its complex biological setting. The group is highly interdisciplinary in origin and approach. |
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Research Objectives
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Understand the functional role of regions of proteins/nucleic acids through their evolution and physico-chemical properties |
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Model structures of large biomolecular assemblies to understand their function |
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Apply physics based models (docking / electrostatics / Molecular Dynamics / Normal Modes Analysis / Reaction Paths) to understand biochemical and biological function |
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Design peptides and small molecules (through virtual screening) to interrogate biology and to develop lead molecules for therapeutic purposes. |
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