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Improving protein activities using Monte Carlo simulations by changing the side chain angles via PyRosetta and Python

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redradman/MonteCarloProteinEnhancer

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pdb_files
pdb_files
 
 
.gitignore
.gitignore
 
 
README.md
README.md
 
 
local_test.py
local_test.py
 
 
main.py
main.py
 
 
monte_carlo_parallel_test.pbs
monte_carlo_parallel_test.pbs
 
 
monte_carlo_test.pbs
monte_carlo_test.pbs
 
 
test.py
test.py
 
 
test_parallel.py
test_parallel.py
 
 

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MonteCarloProteinEnhancer

Utilizing Monte Carlo simulations in PyRosetta to optimize protein conformations for enhanced stability and functionality.

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Improving protein activities using Monte Carlo simulations by changing the side chain angles via PyRosetta and Python

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simulation monte-carlo mcmc

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