Details
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)
