MD Source Data for "Subunit-specific conductance of single HCN pacemaker channels at femtosiemens resolution"

<p>This dataset is the MD source data for the research paper ''Subunit-specific conductance of single HCN pacemaker channels at femtosiemens resolution''. It includes the following parts:</p> <ol> <li>Figures.zip. This file provides high resolution MD related figures, including main figures and supplementary figures.</li> <li>Figure_source_data.zip. This is the source data for the figures in the paper.</li> <li>Homology_Modelling_result.zip. This file provides the input (rHCN4, PDB ID: 7NP3) and output files (mHCN1-4, hHCN4) of homology modelling.</li> <li>MD_input.zip. This is the MD setup input data. It includes starting structure, topology file, .mdp file and force field file. Due to the limitation of storage space (50 GB), it is a pity we couldn't upload all trajectories files (~180 GB). But these files are enough for rerunning the MD simulations.</li> <li>Movie 1. K+ permeation in mHCN2 channel during a 250 ns trajectory.</li> </ol>