Molecular recognition convergence

These examples show that for difficult cases, and especially when a prediction is being made, a large number of simulations may be necessary. Today, the continuing increase in computer power has made such multiple simulations possible in a reasonable time frame. Several other recent studies illustrate the scope of molecular dynamics free energy for molecular recognition problems they include studies of nucleic acids [13], proteins [14-16], and methodological studies of convergence and precision [17, 18]. Several recent reviews provide additional examples [19, 20]. 

Newkome GR, Godinez LA, Moorefield CN (1998) Molecular recognition using P-cyclodextrin-modified dendrimers novel building blocks for convergent self-assembly. Chem Commun 1821-1822... 

Key words. Recognition, hydrogen bonding, molecular clefts, convergent functionality, concerted catalysis, stereoelectronic effects. 

The classic papers pertain to three, at first sight unrelated, topics molecular recognition, oscillatory solutions in mathematics and information flow. These topics evolved virtually separately within chemistry, mathematics and radio-communication, and only now are beginning to converge. Emil Hermann Fischer was the first to stress the importance of molecular recognition. In Einfiuss... 

In 2005, the group of Parisi and Pappalardo" reported on the synthesis and unique molecular recognition abilities of the heterotetratopic receptor, 41, which consists of two convergent, conformationally fixed, cone calix[5]arene units (cation-binding sites) that are covalently linked at their upper rims by means of a l,4-bis(ureido)phenylene spacer... 

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