DaRUS

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15,841 to 15,850 of 16,240 Results

Enspara_Command.txt Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 642 B - MD5: 25782c1c72742bed83986eab713de328 Command line input for the enspara python library. Needs follow up from "Enspara_Clustering_Analysis.py".
Production_Peptide_in_solution.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 7.2 KB - MD5: c647bc59527d69986f4c89f3da39669d Python script for the production of peptide in solution MD simulation trajectories.
Production_SETD2-peptide-complex.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 13.5 KB - MD5: d90ac856931817507afa24516f17142c Python script for the production of enzyme-peptide complex MD simulation trajectories.
Production_SETD2_sMD.py Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Plain Text - 17.5 KB - MD5: 475202d1a38ec4bbdae9527e1514024b Python script for the production of peptide-enzyme association sMD simulation trajectories.
README.pdf Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide Adobe PDF - 147.5 KB - MD5: 8f97c7be1d9767736e3b5cae7157c9be Description of the python scripts provided in this repository. Instructions for use, installation and outcome.
Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Feb 1, 2022 - MD Simulations Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen, 2022, "Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"", https://doi.org/10.18419/DARUS-2463, DaRUS, V1 Python scripts used for the Molecular Dynamics Simulation presented in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"
DNMT3A-Contact_Maps_Analysis.py Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Python Source Code - 2.2 KB - MD5: 98b002df389163006be76edf112c4295 Python script for analysis of contact maps
DNMT3A-Contact_Maps.py Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Python Source Code - 14.8 KB - MD5: 1ce54f7a25b07f85623b571fa3ac8244 Python script for calculation of contact maps
DNMT3A-Contact_Maps_Statistics.py Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Python Source Code - 14.3 KB - MD5: 0cdbaa4cd00a345ca9a1ef24269d99e2 Python script for calculation of contact maps
DNMT3A-Production.py Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Python Source Code - 15.1 KB - MD5: f0e0d16dc77a1188ad2552338805d4f3 Pyton script for calculation of contact maps

Enspara_Command.txt

Mar 2, 2022 - Additional data related to Schnee et al.: Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide

Plain Text - 642 B -

Command line input for the enspara python library. Needs follow up from "Enspara_Clustering_Analysis.py".

Production_Peptide_in_solution.py

Plain Text - 7.2 KB -

Python script for the production of peptide in solution MD simulation trajectories.

Production_SETD2-peptide-complex.py

Plain Text - 13.5 KB -

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

Production_SETD2_sMD.py

Plain Text - 17.5 KB -

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

README.pdf

Adobe PDF - 147.5 KB -

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

Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

Feb 1, 2022 - MD Simulations

Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen, 2022, "Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"", https://doi.org/10.18419/DARUS-2463, DaRUS, V1

Python scripts used for the Molecular Dynamics Simulation presented in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

DNMT3A-Contact_Maps_Analysis.py

Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

Python Source Code - 2.2 KB -

Python script for analysis of contact maps

DNMT3A-Contact_Maps.py

Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

Python Source Code - 14.8 KB -

Python script for calculation of contact maps

DNMT3A-Contact_Maps_Statistics.py

Feb 1, 2022 - Python scripts related to MD simulations in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

Python Source Code - 14.3 KB -

Python script for calculation of contact maps