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National Mathematics Initiative (NMI)
  • Organizing Committee

2010- 2011

Mini-Symposium on Analysis and simulation of biomolecular structures

July 08, 2011

  • Venue

  • The function of biomolecules is determined by their three dimensional structures and their associated intrinsic motion. Dynamic events that span across multiple time scales - from picoseconds for small conformational changes in protein molecules, milliseconds in protein-ligand binding, govern various biological processes. Mechanistic insights into the various dynamic events are crucial for understanding biological function. Molecular simulations play an important role in this as it enables the study of various biomolecular systems under different conditions and different states. Analyses of the results from such simulations give us insights about the dynamic nature of biomolecules, in fact providing an important link between experiment and modelling of the physical behaviour of complex biological systems.

    The symposium will consist of a series of talks from experts in the field of biomolecular simulations and analyses. The topics include structures and function of proteins and nucleic acids, geometry, topology and physics of proteins, stability and flexibility analysis of biomolecular structures, intermolecular interactions, molecular dynamics simulations and analysis of protein structures through graph theory.





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