Prof. Dr. Serdar DURDAĞI
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Therapeutic Activity Precition
Prediction of toxic effects of small molecules
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Script for Gromacs MD Simulations
http://durdagilab.com/uploads/submit_gromacs.sh.txt
Script for MM/GBSA analyses from Gromacs MD trajectories
http://durdagilab.com/uploads/submit_gromacs_analyze.sh.txt
Scripts for Cartesian coordinates to IUPAC name conversions and selection of compounds from large molecule libraries
http://durdagilab.com/uploads/Marvin_python.zip
