Ph.D, Deputy General Manager, Principal Scientist @ Department of Computational Science and Technology, RIST
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placingmd
placingmd PublicProtein-Ligand Attached Complex Input Generator for Molecular Dynamics
Jupyter Notebook
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meekovina
meekovina Publicpython script easy to use Autodock Vina basic docking simulation
Jupyter Notebook
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pdbqtprep
pdbqtprep PublicIntegrated program of PDBFixer and AutoDockTools to prepare protein model of molecular dynamics simulation and AutoDock Vina docking simulation.
Python
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gromacs_amber14sb_bugfix
gromacs_amber14sb_bugfix PublicBugfix of amber14sb force field of gromacs
Makefile
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