Static molecular recognition

Static molecular recognition is similar to the interaction between a lock and key. It is a 1 1 type complexation reaction between a host molecule and a guest molecule to form a host—guest complex. To achieve advanced static molecular recognition, it is necessary to make recognition sites that are specific for guest molecules. 

Almost all contributions to the two volumes highlight the fact that ligand-protein complexes cannot be treated as static ensembles. On both sides, the ligand and the receptor side, dynamic processes contribute to the molecular recognition. In this sense it is hoped that these two volumes of Bio active Confer-... 

Wipff, G. (1992) Molecular Modeling Studies on Molecular Recognition - Crown Ethers, Cryptands and Cryptates - from Static Models in Vacuo to Dynamic Models in Solution, J. Coord. Chem. 27, 7-37 and chapter in this volume. 

Electrostatic interactions between static molecular charges - such as found, for example, between polar molecules - tend to be relatively strong as well as direction dependent. As such, they are often of central importance in molecular recognition. They can be attractive or repulsive and are the simplest of the intermolecular forces to account for since their effects are additive. 

The first step in the development of a protein docking algorithm is to examine the known complexes to establish the principles of molecular recognition. Following earlier work [10], there are reviews that examined the interactions between hetero-protein complexes [4, 7]. These analyses have focussed on the static structure of the complexes. A major problem in protein docking is to cope with the conformational flexibility that occurs on complex formation. Accordingly, we have analyzed the conformational changes on complex formation for 39 pairs of structures of proteins in... 

Research helped us to systematically understand the linkage mode and recognition mechanism of CD and calixarene-molecular acceptor with the hydrophobic cavity. The binding energy of the bonds of CD is derived from the synergistic contribution of van der Waals, hydrogen bonds and the interaction of hydrophobic bonds. However, for calixarene, it comes from the interaction of static electricity. 

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