Dipole orientation of hydrated gas phase proteins

2025/01/01 by Harald Agelii, Ellen L. S. Jakobsson, Emiliano De Santis +4 · 1 voice
Biochemistry, Genetics and Molecular Biology · Medicine · #Hemoglobin structure and function #Magnetic and Electromagnetic Effects #Spaceflight effects on biology

paper · pdf · doi:10.1039/d5cp00073d

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

Abstract

We compare dehydrated with hydrated proteins in external electric fields in vacuum. Hydration reduces the required field strength for dipole orientation, makes the molecule orient at shorter time scales, and increases structural stability.

Citations

• GROMACS: A message-passing parallel molecular dynamics implementation
• Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
• GROMACS 3.0: a package for molecular simulation and trajectory analysis
• Partial Orientation Retrieval of Proteins From Coulomb Explosions
• Protein Structure Classification Based on X-Ray-Laser-Induced Coulomb Explosion

Discussions

• 👏Congratulations to the SPIDoc's groups headed by Carl Caleman and Erik Marklund at @uu.se and collaborators for their new publication! 📝 Dipole orientation of hydrated gas-phase proteins 👉 doi.or [bsky, 0 points, 0 comments]