title: A new theoretical index of biochemical reactivity combining steric and electrostatic factors. An application to yeast tRNAPhe.
abstract: A new theoretical index of the chemical reactivity of sites within macromolecules is developed, which combines both steric and electrostatic factors. It is applied to the study of yeast tRNAPhe and the results obtained are compared with known experimental reactivities. A comparison indicates the superiority of the new index over the sole use of the surface accessibility.
mesh_terms: D000225:Adenine; D001665:Binding Sites; D002412:Cations; D055598:Chemical Phenomena; D002621:Chemistry; D002627:Chemistry, Physical; D003596:Cytosine; D004563:Electrochemistry; D006147:Guanine; D008954:Models, Biological; D009690:Nucleic Acid Conformation; D010710:Phosphates; D012331:RNA, Fungal / Q000378:metabolism*; D012346:RNA, Transfer, Amino Acyl / Q000378:metabolism*; D012441:Saccharomyces cerevisiae; D014498:Uracil
chemical_list: D002412:Cations; D010710:Phosphates; D012331:RNA, Fungal; D012346:RNA, Transfer, Amino Acyl; D014498:Uracil; D006147:Guanine; D003596:Cytosine; D000225:Adenine