The first reported hybrid artificial neural network-genetic algorithm (ANN-GA) approach for the optimization of on-capillary dipeptide derivatization is presented. More specifically, genetic optimization proved valuable in the determination of effective network structure with three defined parameter inputs: (i) phthalic anhydride injection volume, (ii) time of injection, and (iii) voltage, for ...

Amino acid substitutions in protein structures often require subtle backbone adjustments that are difficult to model in atomic detail. An improved ability to predict realistic backbone changes in response to engineered mutations would be of great utility for the blossoming field of rational protein design. One model that has recently grown in acceptance is the backrub motion, a low-energy dipep...

An account of x-ray crystallographic studies of monoclinic porcine pepsin crystals is presented. The chain fold specific for aspartyl proteases is described in detail. As the results of 2-A refinement have shown, the actual structure is that of ethanol-inhibited pepsin. The structure, although close to those of fungal aspartyl proteases, has some specific features: one of them is an insertion n...

Nanotubes formed by the aqueous assembly of a proline-lysine dipeptide (1) were used to create the hydrophobic microenvironments required to catalyze the aldol reaction in water. The self-assembly process occurred most efficiently in the presence of the substrates, producing an array of homogeneous nanotubes under the reaction conditions. The nanotubes formed by dipeptide 1 served as an efficie...

Mild, efficient and racemization-free synthesis of N-protected α, β-unsaturated γ-amino esters with unprecedented high E- stereoselectivity is described. This method is found to be compatible with Boc-, Fmoc- and other side chain protecting groups. The crystal conformations of the vinylogous γ-amino esters in monomers and in homo- and mixed dipeptides are studied. Further, the vinylogous homo-d...