MD Simulations

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31 to 40 of 77 Results

Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Mar 14, 2023 Jeltsch, Albert; Schnee, Philipp; Saad, Mina; Weirich, Sara; Pleiss, Jürgen; Bashtrykov, Pavel, 2023, "Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation", https://doi.org/10.18419/DARUS-3263, DaRUS, V1 This data collection contains additional data related to Khella et al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation". This includes Movie 1: Example of a successful docking of AdoMet to the NSD2 T1150A - H3K36me2 peptide complex Modelled structures of NSD2 bound to different peptides and...
Analysis_RMSD.py Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Python Source Code - 1.9 KB - MD5: 4bfaa9b84fa45ba89c04f126d5e8f325 Python script to analyse the RMSD of a trajectory to a reference frame. Intentionally used for sMD.
Analysis_SN2-Transistion_States.py Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Python Source Code - 3.5 KB - MD5: bffbcf5acbb83332705612b3480d418f Python script to analyse the SN2 transition states in a sMD trajectory.
contact_map_explorer.py Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Python Source Code - 5.7 KB - MD5: b8cfe4ec8faef9077eb16f668120dfd8 Python script to analyse the contacts of a trajectory
H3K36me0.pdb Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation application/vnd.palm - 24.0 KB - MD5: d2b34ae25dee751f4e93569993d5da43
H3K36me1.pdb Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation application/vnd.palm - 24.3 KB - MD5: e04af0ec7cf7d727664dd76adbe8a96f
H3K36me2.pdb Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation application/vnd.palm - 24.6 KB - MD5: 03633521f5c44a1073ce75bfa068002f
K36me0_deprot.xml Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation XML - 2.3 KB - MD5: 86a2ea23c78f6c513d8f4a67cd1c6040 Parameters for unmethylated, deprotonated lysine 36
K36me1_deprot.xml Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation XML - 4.6 KB - MD5: 5327b02261b29fb15bf34deaaa2bab5f Parameters for monomethylated, deprotonated lysine 36
K36me2_deprot.xml Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation XML - 4.9 KB - MD5: 32e8f4ee02a1eae6f52fed0d3e2fa32b Parameters for dimethylated, deprotonated lysine 36

Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation

Mar 14, 2023

Jeltsch, Albert; Schnee, Philipp; Saad, Mina; Weirich, Sara; Pleiss, Jürgen; Bashtrykov, Pavel, 2023, "Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation", https://doi.org/10.18419/DARUS-3263, DaRUS, V1

This data collection contains additional data related to Khella et al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation". This includes Movie 1: Example of a successful docking of AdoMet to the NSD2 T1150A - H3K36me2 peptide complex Modelled structures of NSD2 bound to different peptides and...

Analysis_RMSD.py

Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation

Python Source Code - 1.9 KB -

Python script to analyse the RMSD of a trajectory to a reference frame. Intentionally used for sMD.

Analysis_SN2-Transistion_States.py

Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation

Python Source Code - 3.5 KB -

Python script to analyse the SN2 transition states in a sMD trajectory.

contact_map_explorer.py

Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation

Python Source Code - 5.7 KB -

Python script to analyse the contacts of a trajectory