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Gzip Archive - 190.9 MB - MD5: c3b7eea90519d9043f821ba38bd25494
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/DARUS-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulations codes and analysis scripts
Python Source Code - 3.3 KB - MD5: 7e56f5ea455fdaf01d765c2eedd0fd35
Python script to analyse the SN2 transition states in a MD trajectory.
Python Source Code - 9.6 KB - MD5: fd944dbf9f26ebc03682972be3b472b6
Python script to analyse the contacts in a MD trajectory
MS Excel Spreadsheet - 105.8 KB - MD5: 9cbfc909c7a116f2f774327b9b857798
Source Data for the conducted MD simulation experiments with the P30G/P43S mutant
MS Excel Spreadsheet - 195.0 KB - MD5: 4012b61efae90eac1b3485438cf56853
Source Data for the conducted MD simulation experiments
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