Molecular recognition mechanisms

L, et al. 2001. Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes structural analysis of the peptide complexes with SH2 domains. Proteins 45(4) 456-470. 

New Industrial-scale Resolution by Diastereomeric Salt Formation Utilizing Molecular Recognition Mechanism... 

Computation and Modeling of Molecular Recognition Intermolecular Interactions in Molecular Recognition Mechanisms of Enzyme Inhibition Protein-Ligand Interactions... 

For the indirect determination of absolute configurations by relating the order of elution to reference compounds with known absolute configuration. For such investigations it is assumed that the test and model series rely on the same chiral and molecular recognition mechanisms. 

Fig. 9.16. Simplified schematics illustrating two different molecular recognition mechanisms exemplified for native (i-CD and propranolol. Case A is the polar-organic phase mode where the solvent molecules occupy the cavity and the SA is bound to the outer surface of the CD via polar interactions (hydrogen bonding and/or dipole-dipole interactions) which contribute to chiral recognition in combination with steric interactions. In the reversed-phase mode, the primary binding mechanism is similar to case B SO-SA association may be driven by inclusion type complexation into the hydrophobic cavity of the CD macrocycle (reprinted with permission from Ref. [27. ]).

Polynucleotides have other molecular recognition mechanisms that permit formation of stable three-dimensional structures. For example, folded RNAs are often stabilized by a tertiary interaction known as a GNRA tetraloop-receptor... 

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