Publications
Incomplete list of recent publications.
[1]
A. Jansen et al.,
"Constant-pH molecular dynamics simulations of closed and open states of a proton-gated ion channel,"
Biophysical Journal, vol. 125, no. 19, pp. 5676-5688, 2026.
[2]
D. Morozov et al.,
"Seamless QM/MM Simulations via a GROMACS-CP2K Interface,"
Journal of Chemical Information and Modeling, vol. 66, no. 18, pp. 11588-11595, 2026.
[3]
S. Eriksson Lidbrink et al.,
"Several multiple sequence alignment-perturbing methods enhance AlphaFold3 sampling of alternative protein states,"
Communications Chemistry, vol. 9, no. 1, 2026.
[4]
L. A. Andronico et al.,
"Plasma membrane order maps functional diversity in immune cells,"
Nature Chemical Biology, 2026.
[5]
L. Müllender, B. Hess and E. Lindahl,
"Enabling Biomolecular Simulations with Neural Network Potentials in GROMACS,"
Journal of Chemical Theory and Computation, vol. 22, no. 17, pp. 9134-9144, 2026.
[6]
T. Padvitski et al.,
"Cell-type-specific damage scores reveal kidney and liver disease trajectories in single-cell and spatial transcriptomics,"
Cell Genomics, vol. 6, no. 10, 2026.
[7]
C. O. Gurdap et al.,
"Spectral biophysical cytometry with nanosensors reveals remodelling of immune cells in atherosclerosis,"
Nature Nanotechnology, vol. 21, no. 9, pp. 1308-1315, 2026.
[8]
J. Xiao et al.,
"Inorganic phosphate rapidly switches the stability of Arp2/3-induced actin branches,"
Journal of Cell Biology, vol. 225, no. 9, 2026.
[9]
S. Kappelhoff et al.,
"Direct visualization of native GSDMD pores reveals lipid-driven stabilization during pyroptosis,"
Science Advances, vol. 12, no. 28, 2026.
[10]
S. Wingbermühle et al.,
"Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection,"
Journal of Chemical Theory and Computation, vol. 22, no. 10, pp. 5122-5142, 2026.