Quantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?
In this feature article, we provide a side-by-side introduction for two research fields: quantum chemical calculations of molecular interaction in nucleic acids and RNA structural bioinformatics. Our main aim is to demonstrate that these research areas, while largely separated in contemporary literature, have substantial potential to complement each other that could significantly contribute to our understanding of the exciting world of nucleic acids. We identify research questions amenable to the combined application of modern ab initio methods and bioinformatics analysis of experimental structures while also assessing the limitations of these approaches. The ultimate aim is to attain valuable physicochemical insights regarding the nature of the fundamental molecular interactions and how they shape RNA structures, dynamics, function, and evolution.
Institute of Biophysics, Academy of Sciences of the Czech Republic, Královopolská 135, 61265 Brno, Czech Republic. sponer@ncbr.chemi.muni.cz
Jiří
J
Šponer
Judit E
JE
Šponer
Anton I
AI
Petrov
Neocles B
NB
Leontis
D019295:Computational Biology; D009690:Nucleic Acid Conformation; D009696:Nucleic Acids / Q000737:chemistry*; D011789:Quantum Theory; D012313:RNA / Q000737:chemistry*
D009696:Nucleic Acids; D012313:RNA