Seascape is pleased to announce a "Knowledge Discovery in Life
Sciences:
Modeling of Small Molecules to Macromolecules" workshop as detailed
below.
Key Faculty/Lecturers
This 5 day workshop will be led by Prof. Indira Ghosh and supported by
Prof. Kolaskar, Prof. Balaji of IIT Bombay, Prof. Devipriya of JNU and
Scientists from OpenEye Scientific and Seascape.
Workshop Overview
Understanding and characterisation of the phenomenon of molecular
associations like DNA-Protein, Protein-Carbohydrate and receptor-ligand
complex formation is one of the important steps in any successful
rational drug discovery process. The use of computational tools and
algorithms can facilitate knowledge extraction from the structural
aspects of macromolecules. Alongside the importance of protein in
biological interaction, this workshop will emphasize the
structure of DNA, RNA and Carbohydrate, considering the emerging
importance of glyco-biology, transcription factor and anti-sense RNA.
This can help in understanding of the critical conformational changes
that affect the biological functioning on macroscale.
The importance of shape and electrostatics as primary variables for
describing the chemistry of molecular interactions will be emphasized
by
OpenEye Scientific Software.
The topics covered would include (but are not limited to):
- Understanding Protein, DNA, RNA and Carbohydrate structure
- Description of the potential energy of a system of particles-
Basics of Force fields
- Principles and basic techniques in Molecular Dynamics
simulation
of biomolecules
- Small molecules as drug and their physico-chemical properties
- Docking, lead identification and lead optimization
Registration/Information
http://bioinfo.ernet.in/workshopdec07/
http://www.seascapelearning.com
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