With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …

Phosphoryl transfer plays key roles in signaling, energy transduction, protein synthesis, and
maintaining the integrity of the genetic material. On the surface, it would appear to be a …

Modern semiempirical methods are of sufficient accuracy when used in the modeling of
molecules of the same type as used as reference data in the parameterization. Outside that …

Hybrid quantum mechanical/molecular mechanical (QM/MM) approaches have been used
to provide a general scheme for chemical reactions in proteins. However, such approaches …

The nature of the hydrolysis of phosphate monoester dianions in solutions and in proteins is
a problem of significant current interest. The present work explores this problem by …

Abstract 50 years after the historical Miller–Urey experiment, the formamide‐based scenario
is perhaps the most powerful concurrent hypothesis for the origin of life on our planet …

A semiempirical AM1/d Hamiltonian is developed to model phosphoryl transfer reactions
catalyzed by enzymes and ribozymes for use in linear-scaling calculations and combined …

This work provides new insights from our team regarding advances in targeting canonical
and non-canonical nucleic acid structures. This modality of medical treatment is used as a …

Nucleic acids that store and transfer biological information are polymeric diesters of
phosphoric acid. Cleavage of the phosphodiester linkages by protein enzymes, nucleases …

RNA molecules participate in many fundamental cellular processes either as a carrier of
genetic information or as a catalyst, and hence, RNA has received increasing interest both …