Biological macromolecules often exhibit correlations in fluctuations involving distinct
domains. This study decodes their functional implications in RNA–protein recognition and …

RNA conformational dynamics and the resulting structural heterogeneity play an important
role in RNA functions, eg, recognition. Recognition of HIV-1 TAR RNA has been proposed to …

Ribonucleic acid (RNA) molecules are known to undergo conformational changes in
response to various environmental stimuli including temperature, pH, and ligands. In …

The impact of the amino-acid side-chain length on peptide–RNA binding events has been
investigated using HIV-1 Tat derived peptides as ligands and the HIV-1 TAR RNA element …

The HIV-1 Tat protein and several small molecules bind to HIV-1 transactivation responsive
RNA (TAR) by selecting sparsely populated but pre-existing conformations. Thus, a …

Efforts toward the development of RNA-based drug leads have been challenging because of
the complexity and dynamic nature of RNA structures as therapeutic targets. The …

A major goal in structural biology and biophysics is to rationally design biomolecules that
have specific characteristics at the atomic level. There have been significant advances in the …

RNA recognition frequently results in conformational changes that optimize intermolecular
binding. As a consequence, the overall binding affinity of RNA to its binding partners …

RNA–protein complexes use diverse binding strategies, ranging from structurally well-
defined interfaces to completely disordered regions. Experimental characterization of …

In my thesis work, I conducted molecular simulation studies to explore dynamics and
interactions in nucleic acids. I began my work by applying conventional molecular dynamics …