Molecular recognition intermolecular interactions

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

The uncertainties involved in the prediction of polymorphism teUs us something about the solid state. Investigations of polymorphic systems, especially those with a large number of forms, can help in understanding solid-state phenomenon, molecular properties, intermolecular interactions, molecular recognition and various forces involved at the interface of... 

Altschuh D, Oncul S, Demchenko AP (2006) Fluorescence sensing of intermolecular interactions and development of direct molecular biosensors. J Mol Recognit 19 459 477... 

Molecular imprinting can be accomplished in two ways (a), the self assembly approach and (b), the preorganisation approach3. The first involves host guest complexes produced from weak intermolecular interactions (such as ionic or hydrophobic interaction, hydrogen bonding) between the analyte molecule and the functional monomers. The self assembled complexes are spontaneously formed in the liquid phase and are sterically fixed by polymerisation. After extraction of the analyte, vacant recognition sites specific for the imprint are established. Monomers used for self assembly are methacrylic acid, vinylpyridine and dimethylamino methacrylate. 

Noncovalent interactions play a key role in biodisciplines. A celebrated example is the secondary structure of proteins. The 20 natural amino acids are each characterized by different structures with more or less acidic or basic, hydrophilic or hydrophobic functionalities and thus capable of different intermolecular interactions. Due to the formation of hydrogen bonds between nearby C=0 and N-H groups, protein polypeptide backbones can be twisted into a-helixes, even in the gas phase in the absence of any solvent." A protein function is determined more directly by its three-dimensional structure and dynamics than by its sequence of amino acids. Three-dimensional structures are strongly influenced by weak non-covalent interactions between side functionalities, but the central importance of these weak interactions is by no means limited to structural effects. Life relies on biological specificity, which arises from the fact that individual biomolecules communicate through non-covalent interactions." " Molecular and chiral recognition rely on... 

As the electrostatic potential is of importance in the study of intermolecular interactions, it has received considerable attention during the past two decades (see, e.g., articles on the molecular potential of biomolecules in Politzer and Truhlar 1981). It plays a key role in the process of molecular recognition, including drug-receptor interactions, and is an important function in the evaluation of the lattice energy, not only of ionic crystals. 

Hunter, C.A. (2004) Quantifying intermolecular interactions Guidelines for the molecular recognition toolbox. Angew. Chem., Int. Ed., 43, 5310-5324. 

The weak intermolecular forces that arc principally involved in stabilizing receptor-substrate interactions and involved in molecular recognition processes arc summarized in Table 2. Examples are shown in Figure I. 

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