Computational study on the molecular recognition in water using endo functionalized molecular tubes and uses of these receptors as drug delivery vehicles

Abstract

My doctoral research focused on the molecular recognition in water using endo functionalized molecular tube receptors and uses of these receptors as drug delivery vehicles Host guest coupling investigations indicate the driving factors behind complexation and offer insight into noncovalent interactions between the host and guest moiety We have also analyzed the water thermodynamics using grid inhomogeneous solvation theory GIST This study also provides interaction between these receptors an...