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Name: Steffen Wolf
Type: User
Company: University of Freiburg, Germany
Bio: Theoretical biophysicist with a focus on MD simulations and nonequilibrium statistical mechanics.
Location: Freiburg, DE
Name: Steffen Wolf
Type: User
Company: University of Freiburg, Germany
Bio: Theoretical biophysicist with a focus on MD simulations and nonequilibrium statistical mechanics.
Location: Freiburg, DE
Jupyter notebook with 2D test potential energy landscape for performing model biased simulations combined with pathway analysis.
Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.
Includes C++ code to run Markovian Langevin equations in units compatible with the dcTMD correction scripts available at www.moldyn.uni-freiburg.de/software/software.html. In addition, a jupyter notebook can be found which estimates the error of rates at 300 K from T-boosting calculations.
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
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