Cyclome: Large-scale replica-exchange dynamics of 930 cyclic peptide reveal thermal stability and critical metal-binding behavior
Karuna Anna Sajeevan, Hannah Gates, Vaishnavey SR, Curwen Pei Hong Tan, Riza Danurdoro, Julia Young, Ratul Chowdhury
The paper develops a computational framework to analyze cyclic peptides, integrating data, improving sequence alignment, simulating thermal stability, and predicting melting points and metal binding.
bioRxiv · Apr 12, 2026 · PreprintBioinformatics