Molecular recognition short-range interactions

Intramolecular interaction is a powerful factor that controls molecular architecture, particularly in the case of geometrically flexible molecular systems. The existence and energies of intramolecular classical hydrogen bonds and their role in chemistry and biochemistry are well known. They stabilize molecular conformations, promote short- and long-range proton transfers, participate in the creation of three-dimensional structures of large molecules and play a fundamental role in the phenomenon of molecular recognition. 

Molecular shape complementarity is critical to biomolecular recognition and specificity. Even if the molecules change conformation on binding and water molecules are trapped at the interface, bound complexes show high shape complementarity (31). This shape complementarity is dependent on van der Waals interactions between the binding molecules. Electron-electron repulsion prevents atomic overlap and intermolecular penetration. However, induced dipole effects as atoms approach lead to short-range attractive interactions. 

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