Han Sun Group
Published December 4, 2024 | Version v2
Dataset Open

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

Creators

  • 1. ROR icon Jena University Hospital
  • 2. ROR icon Leibniz-Forschungsinstitut für Molekulare Pharmakologie
  • 3. ROR icon Technische Universität Berlin

Description

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:

  1. Figures.zip. This file provides high resolution MD related figures, including main figures and supplementary figures.
  2. Figure_source_data.zip. This is the source data for the figures in the paper.
  3. Homology_Modelling_result.zip. This file provides the input (rHCN4, PDB ID: 7NP3) and output files (mHCN1-4, hHCN4) of homology modelling.
  4. 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.
  5. Movie 1. K+ permeation in mHCN2 channel during a 250 ns trajectory.

Files

Figure_source_data.zip

Files (2.3 GB)

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md5:22b49aa34413d936aa76f0faddce82e2
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md5:afa782874e2ec9159ec2ed0c577d8d51
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md5:098a57948fbad8aaab5b2b6bd2acc6f7
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md5:905b726b6309f9715701ba7a77f5b5be
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md5:d6dabfad7f91c3e2a68d85881b0585e1
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