Estimating position-dependent and anisotropic diffusivity tensors from molecular dynamics trajectories: Existing methods and future outlook

TS Domingues, R Coifman… - Journal of Chemical …, 2024 - ACS Publications
Confinement can substantially alter the physicochemical properties of materials by breaking
translational isotropy and rendering all physical properties position-dependent. Molecular …

Unraveling the molecular mechanism of temperature-induced destabilization in the PqsE-RhlR complex of Pseudomonas aeruginosa at mammalian body temperature …

M Magri, R Eljaoudi, L Belyamani, A Ibrahimi… - Journal of Molecular …, 2025 - Elsevier
PqsE and RhlR, key regulators of the Pseudomonas aeruginosa quorum sensing (QS)
system, form a hetero-tetrameric complex essential for controlling the expression of …