MD Simulations

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41 to 50 of 72 Results

NSD2 MD Data 2.xlsx Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation MS Excel Spreadsheet - 901.0 KB - MD5: 26ff262c131210882b420c1b92b941f9 Source data of the results of the MD analysis.
POVME3_input.ini Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Unknown - 645 B - MD5: baa32dae890c6be1e35fb135e46601b1 Input parameters for POVME3 volume calculation
Production_NSD2-T1150A_sMD.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 - 20.3 KB - MD5: 3e91fe1f6e0aaf8f80146b8cc2bdfe9e Python script for the production of SAM-enzyme association sMD simulation trajectories.
Production_NSD2-T1150_complexed_SAM.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 - 14.8 KB - MD5: ca93ed0898dd704f624ca23aef594cf2 Python script for the production of enzyme-SAM complex MD simulation trajectories.
README.pdf Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Adobe PDF - 120.1 KB - MD5: 9b2e5f6281fc434a6d06535a5ce3677c Description of the python scripts provided in this repository. Instructions for use, installation and outcome.
SAM.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 - 5.0 KB - MD5: 8f8bfe32179ce5e4cdf3f1cee3d01e8f
SAM-sMD.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 - 5.0 KB - MD5: f7bdbe29edd4db19b6d1928185037563
SAM.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 - 20.9 KB - MD5: 8504b192cebc39de3edb5595d94cd0e4 Parameters for the cofactor SAM (AdoMet).
Set up and PDBs.pse Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation Unknown - 9.0 MB - MD5: 03afb74cdbb9a2f89b12077a32a2145b PDB files used to start the (s)MD simulations.
Suppl. Table 3.xlsx Mar 14, 2023 - Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation MS Excel Spreadsheet - 68.7 KB - MD5: 58613d1330e21907928e58900a55577f List of differentially expressed genes between OCILY18 (NSD2 T1150A) vs (OCILY1, OCILY7, OCILY10 and DOHH2) (NSD2 WT) with their corresponding Log2 FC and –log10 p-value.

NSD2 MD Data 2.xlsx

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

MS Excel Spreadsheet - 901.0 KB -

Source data of the results of the MD analysis.

POVME3_input.ini

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

Unknown - 645 B -

Input parameters for POVME3 volume calculation

Production_NSD2-T1150A_sMD.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 - 20.3 KB -

Python script for the production of SAM-enzyme association sMD simulation trajectories.

Production_NSD2-T1150_complexed_SAM.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 - 14.8 KB -

Python script for the production of enzyme-SAM complex MD simulation trajectories.

README.pdf

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

Adobe PDF - 120.1 KB -

Description of the python scripts provided in this repository. Instructions for use, installation and outcome.

SAM.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 - 5.0 KB -

SAM-sMD.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 - 5.0 KB -

SAM.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 - 20.9 KB -

Parameters for the cofactor SAM (AdoMet).

Set up and PDBs.pse

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

Unknown - 9.0 MB -

PDB files used to start the (s)MD simulations.

Suppl. Table 3.xlsx

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

MS Excel Spreadsheet - 68.7 KB -

List of differentially expressed genes between OCILY18 (NSD2 T1150A) vs (OCILY1, OCILY7, OCILY10 and DOHH2) (NSD2 WT) with their corresponding Log2 FC and –log10 p-value.

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