Molecular modeling, Quantum chemical studies of molecular interactions in nucleic acids, Structural studies of functional RNA molecules (Ribosome, Ribozyme and Riboswitch)
Selected Publications
Higher order structural effects stabilizing the reverse Watson-Crick Guanine-Cytosine base pair in functional RNAs M. Chawla, S. Abdel-Azeim, R. Oliva, L. Cavallo Nucl. Acids. Res., 42 (2): 714-726, (2014)
Protonation of base pairs in RNA: Context analysis and Quantum chemical investigations of their geometries and stabilities M. Chawla, P. Sharma, S. Halder, D. Bhattacharyya, and A. Mitra J. Phys. Chem. B 115(6): 1469-1484, (2011)
On the role of Hoogsteen:Hoogsteen interactions in RNA: Ab initio investigations of structures and Energies P. Sharma, M. Chawla, S. Sharma, and A. Mitra RNA. 16:942-957, (2010)
Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches S. Sharma, M. Chawla, and A. Mitra J. Mol. Model. 15:633-649, (2009)
KAUST Affiliations
KAUST Catalysis Center (KCC) Division of Physical Sciences and Engineering (PSE)
