DLPC (C12:0 PC) bilayer with 80 lipids in one leaflet and 70 lipids in the opposite leaflet. The bilayer was simulated in all-atom representation with NAMD and the CHARMM36 lipid force field for 250 n
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
Neuraminidase (NA) of influenza is a key target for virus infection control and the recently discovered open 150-cavity in group-1 NA provides new opportunity for novel inhibitors design. In this stud
The pure DPPC membrane (36 lipids in each leaflet) simulations with the Charmm-Drude polarizable force field. Initial structure has been generated via Charmm-Gui on 01.03.2021. Before the production r