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Soft Matter|September 27, 2022
Finite temperature string method with umbrella sampling using path collective variables: application to secondary structure change in a proteinAvijeet Kulshrestha, Sudeep N Punnathanam, K Ganapathy Ayappa
Biophysical Journal|September 23, 2023
Cholesterol catalyzes unfolding in membrane-inserted motifs of the pore forming protein cytolysin AAvijeet Kulshrestha, Sudeep N Punnathanam, Rahul Roy, et al.
The Journal of Physical Chemistry. B|October 15, 2025
Multiscale Simulations Elucidate the Mechanism of Polyglutamine Aggregation and the Role of Flanking Domains in Fibril PolymorphismAvijeet Kulshrestha, Tien Minh Phan, Azamat Rizuan, et al.
Biorxiv : the Preprint Server for Biology|June 6, 2025
Multiscale simulations elucidate the mechanism of polyglutamine aggregation and the role of flanking domains in fibril polymorphismAvijeet Kulshrestha, Tien Minh Phan, Azamat Rizuan, et al.
The Journal of Physical Chemistry. B|December 21, 2022
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin AAvijeet Kulshrestha, Satyaghosh Maurya, Twinkle Gupta, et al.
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