************OWARI COMPLEX SEMINAR XLVI*************

Title  :   Non-Covalent Interactions in Chemistry and Biology

Speaker  :  G. Narahari Sastry

Affiliation : Indian Institute of Chemical Technology

Date  :  Thu.Jan. 26th, 1:30 pm (Almost one hour)

Place  :  Seminar Room (4F),
          Graduate School of Information Science

Abstract :
Non-covalent interactions control the three dimensional structure of 
macromolecules and the supramolecular assemblies. Thus, atomic level 
understanding of condensed phase structure warrants a clear understanding 
of the role, strength and relevance non-covalent interactions and 
how do they mutually influence each other. In our efforts to employ 
rigorous computations on the molecules of medium sizes which involve 
non-covalent interactions several interesting features were unraveled.  
The alkali and alkaline earth metal interactions in biological system 
is analyzed using computational methods and also through analyzing 
databases. Further, we focus our attention on how a pair of non-covalent 
interactions mutually influences each other's strength, through 
computational and structural analyses. The extent of cooperativity 
among the non-covalent interactions is analyzed and its effect on 
controlling the 3D-structure.

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