Modeling Nucleic Acids Structure and Function


Non-covalent interactions play an important role in the molecular recognition process. Proper understanding of role of molecular interactions is very challenging due to the extreme complexity of bio-molecular interactions. We use state-of-the-art computational techniques, including ab initio quantum-chemical calculations, molecular dynamic simulations and structural bioinformatics to provide unique insights in to the role of molecular interactions in structure and dynamics of functional nucleic acid molecules.

  • Mohit Chawla
  • Safwat Abdel-Azeim
  • Edrisse Chermak
      •  Structural Stability, Acidity and Halide Selectivity of the Fluoride Riboswitch Recognition Site
          M. Chawla, R. Credendino A. Poater, R. Oliva, L.Cavallo
          J. Am. Chem. Soc., In Press, (2014)
      •  Higher order structural effects stabilizing the reverse Watson-Crick Guanine-Cytosine base pair in functional RNAs
          M. Chawla, S. Abdel, R. Oliva, L. Cavallo
          Nucleic Acids Res., 42, 714, (2014)
      •  Accurate energies of hydrogen bonded nucleic acid base pairs and triplets in tRNA tertiary Interactions
          R. Oliva, L. Cavallo, A. Tramontano
          Nucleic Acids Res.,  34, 865, (2006)