Dr. Padmesh and Team’s study on ‘Multifaceted folding–unfolding landscape of the TrpZip2 β-hairpin and the role of external sub-piconewton mechanical tensions’ featured in International Journal Physical Chemistry Chemical Physics (PCCP)

One of the recent research works of Dr. Padmesh, Department of Chemistry, IIT Palakkad and his PhD students Dr. Aparna and  Ms. Nayana has been highlighted on the back cover of Phys. Chem. Chem. Phys (28 April 2023, Issue 16).

The study examines the folding and unfolding of TrpZip2 β-hairpin under mechanical tension caused by external forces of sub-piconewton magnitude. Metadynamics simulations reveal that the hairpin exhibits a zipper mechanism for folding and unfolding in both biased and unbiased scenarios, with the biased system being capable of becoming trapped in various intermediate states. The hairpin turn is highly stable and initiates folding. The heterogeneity observed in the TrpZip2 β-hairpin folding-unfolding event is due to the wide range of conformations caused by uneven forces experienced by the hairpin in solution.

You can read the article here:

(https://pubs.rsc.org/en/content/articlelanding/2023/cp/d2cp05770k)