Institute of Biochemistry and Technical Biochemistry

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File Type: Code

1 to 10 of 32 Results

Analysis-SN2-Transition_States.py Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate Python Source Code - 3.3 KB - MD5: 7e56f5ea455fdaf01d765c2eedd0fd35 Python script to analyse the SN2 transition states in a MD trajectory.
contact_map_explorer.py Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate Python Source Code - 9.6 KB - MD5: fd944dbf9f26ebc03682972be3b472b6 Python script to analyse the contacts in a MD trajectory
Production_NSD2.py Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate Python Source Code - 14.0 KB - MD5: a85710c28cad53b4962b1328c7abeca8 Python script for the production of MD simulations of NSD2 complexed with a peptide
slac_kinetics.ipynb Jan 9, 2024 - Data for: 'EnzymeML-based modeling workflow: from raw data to kinetic parameters' Jupyter Notebook - 3.6 MB - MD5: b45ab2c22ce172152768ab507f81ead4
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
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.
apastyle.py Feb 2, 2023 - From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics Python Source Code - 577 B - MD5: c633f44a83966ee3b9daef12b15384a3

Analysis-SN2-Transition_States.py

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

Python Source Code - 3.3 KB -

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

contact_map_explorer.py

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

Python Source Code - 9.6 KB -

Python script to analyse the contacts in a MD trajectory

Production_NSD2.py

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

Python Source Code - 14.0 KB -

Python script for the production of MD simulations of NSD2 complexed with a peptide