84 datasets found

Keywords: Molecular Dynamics Simulation

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  • MD Simulations with PRDM9

    This data collection contains additional data related to Graf et al.: "Investigation and design of the dual specificity of the PRDM9 protein lysine methyltransferase". This...

  • Molecular dynamics data for DNA base flipping

    DNA base flipping trajectory files. Initial state is a double stranded DNA containing a thymine mutated to a uracil. Uracil is then flipped out according to a 100ns simulation....

  • Molecular dynamics data for UDG enzyme

    UDG enzyme-MD simulation. Initially, the UDG enzyme was solvated using the TIP3P water model, and 0.15 M sodium and chloride ions were added to neutralize the system. Before...

  • Molecular dynamics data for UDG-dsDNA

    UDG-dsDNA-MD simulation. Initially, the UDG-dsDNA complex was solvated using the TIP3P water model, and 0.15 M sodium and chloride ions were added to neutralize the system....
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