Fifty high resolution protein structures from the Brookhaven Protein Data Bank have been
analyzed for recurring motifs in hydrogen bond stereochemistry. Although an exhaustive …

A new algorithm for the location of a transition-state structure on an energy hypersurface is
proposed. The method is compared to three other quasi-Newton step calculations available …

Transacylation reactions of carboxylic acids, carboxylic acid esters, carboxylic acid amides
and other carboxylic acid derivatives are among the most widespread and most important …

Publisher Summary This chapter reviews that gas-phase nucleophilic displacement
reactions constitute a mature field of physical organic chemistry. It is a field that provides …

The Problem For manyyears biochemists have been studying proton exchange (eq 1) in
amides, peptides, and pro-teins (l). 1 They observed that protons buried in the RCONHR'+ …

The mechanism of action of trypsin and other serine proteases has been widely debated1–
5, particularly with regard to the identification of the group at the active site which functions …

Base-catalyzed hydrolysis of formamide in the gas phase and in aqueous solution has been
studied using a combination of quantum chemical and statistical mechanical methods. A …

Conclusion The major conclusions of this study are the following:(1) We have further
validatedthe power and utility of molecular me-chanical methods in simulating the kinetics …

The rates of a number of nucleophilic displacement reactions X"+ RCOY-*· Y-+ RCOX
havebeen studied with pulsed ion cyclotron resonance spectroscopy, where X= F, Cl, CH3O …

A number of molecular quantities were tested as reactivity indexes for the alkaline hydrolysis
reaction of a series of 15 N-phenylacetamides para substituted in the aromatic ring. The …