44 citations · 210 across the 12 of their papers we have counts for
3 papers · 1 filter
Computational Insights into Mechanostability and Dissociation Dynamics of the Dengue Virus Envelope Protein Ectodomain Dimer Across pH and Temperature Gradients
Georcki Ropón-Palacios, Luís G. F. Crespi, Jakub Rydzewski +2
Dengue virus (DENV) is an enveloped flavivirus of major public health importance. Its envelope (E) protein mediates viral entry through homodimer dissociation and subsequent membra…
maze: Heterogeneous Ligand Unbinding along Transient Protein Tunnels
Jakub Rydzewski
Recent developments in enhanced sampling methods showed that it is possible to reconstruct ligand unbinding pathways with spatial and temporal resolution inaccessible to experiment…
Entropic measure to prevent energy over-minimization in molecular dynamics simulations
Jakub Rydzewski, Rafal Jakubowski, Wieslaw Nowak
This work examines the impact of energy over-minimization on an ensemble of biological molecules subjected to the potential energy minimization procedure in vacuum. In the studied…