Convergent functional groups. X. Molecular recognition of neutral substrates

The ANANKE relative energy gradient (REG) method to automate IQA analysis over configurational change

“…[5][6][7][8][9][10]), which was then (and perhaps still is) in need for back-of-the-envelope guidance on complex stability beyond that given by hydrogen bonding. However, SIH is also known to fail or require further modification [5,6,[11][12][13]. Moreover, a critical computational study, published [14] in 2002, showed that SIH is not working for the reasons that it purports (if it ever worked in the first place).…”

Molecular recognition of an adenine derivative by organoplatinum(II) complexes with hydrogen-bonding functionality

“…For example, it has been demonstrated that many aromatic carboxylic acids preferentially bind Hoogsteen (HG) sites whereas aliphatic carboxylic acids bind preferentially at the Watson-Crick (WC) site [7,8]. In addition to hydrogen-bonding, -stacking is usually found to augment the interaction involving aromatic hosts and nucleobase guests, and both macrocyclic and non-macrocyclic molecular receptors containing hydrogen-bonding and/or -stacking binding domains have been reported [9][10][11][12][13][14][15][16][17][18][19][20][21][22], all of which have the capacity to target nucleobases such as adenine and its derivatives.…”

Biomimetic Molecular Recognition Elements for Chemical Sensing

“…Particularly, their synthesis and analysis of cagelike cryptands demonstrated improved binding and selectivity over conventional crown ethers, thereby helping to open the area of supramolecular chemistry for the creation of concave receptor cavities that may be lined with binding sites intended for a specific guest [81,84]. More recent work incorporating the use of hydrogen bonding components for chiral recognition proved to expand these previous approaches [85,86]. Since its inception, supramolecular-chemistry-based recognition systems have grown in their selectivity and complexity.…”