Quantum mechanical (QM) methods are becoming popular in computational drug design
and development mainly because high accuracy is required to estimate (relative) binding …

Peptoid oligomers possess many desirable attributes as bioactive peptidomimetic agents,
including their ease of synthesis, chemical diversity, and capability for molecular recognition …

Structures, relative energies, and bonding characteristics for various conformers of 3-imino-
N-(oxoboryl) prop-1-en-1-amine, HN CH− CH CH− NH− BO, and the corresponding …

The conformational preferences of N-methyl-methylboronamide (NMB), a B (OH)− NH
analog of the amide CO− NH in natural peptides, have been investigated at the Hartree …

Modification of peptides to produce peptidomimetics is of great interest, with the aim of
designing potent, selective, and metabolically stable analogs having certain conformational …

A new peptidomimetic is proposed, resulting from substitution of the C O carbonyl group by
a B–F bond at the amide linkage. The effects of such chemical alteration are theoretically …

Boron-dipyrromethenes (BODIPYs) have received great interest in the scientific community
owing to their remarkable spectral, chemical, biochemical, pharmaceutical and biophysical …