Comparison of allosteric signaling in DnaK and BiP using mutual information between simulated residue conformations
Schneider, Markus; Antes, Iris (2022), Comparison of allosteric signaling in DnaK and BiP using mutual information between simulated residue conformations, Dryad, Dataset, https://doi.org/10.5061/dryad.1g1jwstzs
Molecular Dynamics trajectories of the Hsp70 chaperones DnaK and BiP. System configurations include DnaK or BiP bound to ATP, ATP exchanged to ADP, or the NRLLLTG peptide.
Molecular Dynamics simulations were created using the AMBER software and processed using CPPTRAJ from the AmberTools software suite.
The .prmtop file is a text file as used by the AMBER software for molecular dynamics simulations and contains the topology of the molecular system. Any text editor should be able to read the file, though it is designed towards being used by the program.
The .nc file is a binary file format for trajectories created by the AMBER software.
Deutsche Forschungsgemeinschaft, Award: SFB1035/A10
Deutsche Forschungsgemeinschaft, Award: SFB749/C08