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6931019 
Journal Article 
Signatures of molecular recognition from the topography of electrostatic potential 
Roy, DK; Balanarayan, P; Gadre, , SR; , 
2009 
1 
Proceedings of the Indian Academy of Sciences - Chemical sciences
ISSN: 0253-4134 
INDIAN ACAD SCIENCES 
BANGALORE 
121 
5 
815-821 
English 
WOS:000271982000031 
The recognition of interaction between two molecules is analysed via the topography of their molecular electrostatic potentials (MESP). The point of recognition between two species is proposed to be the geometry at which there is a change in the nature of the set of MESP critical points of one of the molecules vis-a-vis with its MESP topography at infinite separation. These results are presented for certain model systems such as pyridine and benzene dimers, cytosine-guanine and adenine-thymine base pairs in various orientations of approach of the two species.