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phantomdragon
phantomdragon PublicphARMACOPHORE BaSED SCORInG FUNCtIoN IMPLEmENTATIONS USING drUG INTERaCTION gRAIL SCoRE CALCULATIOnS
Jupyter Notebook 3
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commonHitsApproach
commonHitsApproach PublicImplementation of the common hits approach published in DOI: 10.1021/acs.jcim.6b00674
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GRAIL-Scripts
GRAIL-Scripts PublicPython scripts implementing the workflow for the calculation of feature interaction and atom density grids
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- software-development Public
The public wiki for the Molecular Informatics group at the University of Vienna
molinfo-vienna/software-development’s past year of commit activity - phantomdragon Public
phARMACOPHORE BaSED SCORInG FUNCtIoN IMPLEmENTATIONS USING drUG INTERaCTION gRAIL SCoRE CALCULATIOnS
molinfo-vienna/phantomdragon’s past year of commit activity - GRAIL-Scripts Public
Python scripts implementing the workflow for the calculation of feature interaction and atom density grids
molinfo-vienna/GRAIL-Scripts’s past year of commit activity - Ligand-Interaction-Maps Public
Analysis of MD-trajectories of ligand-receptor complexes regarding observable non-bonding interactions between the ligand and the residues of its binding site
molinfo-vienna/Ligand-Interaction-Maps’s past year of commit activity