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MPEG-4 Video - 33.8 MB - MD5: e374e9d928bb3187773f168726b6834e
Example of a successful docking of AdoMet to the NSD2 T1150A – H3K36me2 peptide complex.
MS Excel Spreadsheet - 901.0 KB - MD5: 26ff262c131210882b420c1b92b941f9
Source data of the results of the MD analysis.
Unknown - 645 B - MD5: baa32dae890c6be1e35fb135e46601b1
Input parameters for POVME3 volume calculation
Python Source Code - 20.3 KB - MD5: 3e91fe1f6e0aaf8f80146b8cc2bdfe9e
Python script for the production of SAM-enzyme association sMD simulation trajectories.
Python Source Code - 14.8 KB - MD5: ca93ed0898dd704f624ca23aef594cf2
Python script for the production of enzyme-SAM complex MD simulation trajectories.
Adobe PDF - 120.1 KB - MD5: 9b2e5f6281fc434a6d06535a5ce3677c
Description of the python scripts provided in this repository. Instructions for use, installation and outcome.
XML - 20.9 KB - MD5: 8504b192cebc39de3edb5595d94cd0e4
Parameters for the cofactor SAM (AdoMet).
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