3 papers
physics.bio-ph2025
Space-filling discrete helices
Jayanth R. Banavar, Achille Giacometti, Trinh X. Hoang +2
Proteins are linear chain molecules that play a central role in life and health. Protein native state folds are modular assemblies of space-filling building blocks of α-helices, \…
cond-mat.soft2024
Phase behaviour and self-assembly of semiflexible polymers in poor-solvent solutions
Tobia Arcangeli, Tatjana Å krbiÄ, Somiealo Azote +6
Using Langevin dynamics complemented by Wang-Landau Monte Carlo simulations, we study the phase behavior of single and multiple semiflexible polymer chains in solution under poor-s…
cond-mat.soft2024
Solvent Quality and Nonbiological Oligomer Folding: Revisiting Conventional Paradigms
Cedrix J. Dongmo Foumthuim, Tobia Arcangeli, Tatjana Å krbiÄ +1
We report on extensive molecular dynamics atomistic simulations of a \textit{meta}-substituted \textit{poly}-phenylacetylene (pPA) foldamer dispersed in three solvents, water \ce{H…