MoDEL_CNS

Web-access to atomistic molecular dynamics trajectories for relevant signal transduction proteins.

MoDEL_CNS is a platform designed to provide web-access to atomistic molecular dynamics trajectories for relevant signal transduction proteins. MoDEL_CNS expands the Molecular Dynamics Extended Library (MoDEL) database of atomistic Molecular Dynamics trajectories with proteins involved in Central Nervous System (CNS) processes, including membrane proteins. MoDEL_CNS web server interface presents the resulting trajectories, analyses, and protein properties. All data produced by the project is available to download. MoDEL_CNS will contribute to the improvement of the understanding of neuronal signalling cascades by protein structure-based simulations, calculating molecular flexibility and dynamics, and guiding systems level modelling.

MoDEL_CNS
Example showing a simulation of the G protein-gated inward rectifier K+ channel GIRK2. By clicking on the plot of RMSD vs simulation time, a pop-up window showing a 3D view of the specific trajectory frame is shown.
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