International Year of Chemistry, 2011

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Computational Chemistry as the domain for modern drug designing

Idea by Krishnan Namboori   |   added on Dec 20, 2010 08:00AM Collaboration Collaboration
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Computational drug designing (CDD) can be considered as the most complex material designing exercise a real computational chemist has to take up. But few drugs have come up in the market as products of CDD.


Computational Chemistry is an exciting and fast-emerging discipline which deals with modeling and simulation of systems including biomolecules and drugs. This is the only descipline dealing with material simulation and modeling. In computational drug designing, the principles of computational chemistry has been extended effectively. Drug likeness can be identified as a consequence of interaction between targets such as proteins, nucleic acids, metabolites etc and drug molecules or ligands.Characterization of targets, ligands and their interactions unveil the mystery of  drug designing.   Moderate computing facility along with familarization of the concepts of Computational  chemistry is required to solve complex problems  related to drug designing. The method fastens the process of drug designing to make the fruit of science available to the present generation also.  As an opening to Computational Chemistry groups, we have taken up the topic starting with some neurodegenerative disorders like Alzheimer's disease. As a promising area, I would like the interested researches to collaborate with my research team.
Dr. P.K.Krishnan Namboori
Computational Chemistry Group,
AMRITA Vishwa Vidyapeetham,
Ettimadai, Coimbatore-641105.

Topic: hands-on activities, workshops, engaging the youth, presentations Audience: scientists, educators, professional chemists
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