Popular repositories
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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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phantomdragon
phantomdragon PublicphARMACOPHORE BaSED SCORInG FUNCtIoN IMPLEmENTATIONS USING drUG INTERaCTION gRAIL SCoRE CALCULATIOnS
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Repositories
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- software-development Public
The public wiki for the Molecular Informatics group at the University of Vienna
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- GRAIL-Scripts Public
Python scripts implementing the workflow for the calculation of feature interaction and atom density grids
- 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
- phantomdragon Public
phARMACOPHORE BaSED SCORInG FUNCtIoN IMPLEmENTATIONS USING drUG INTERaCTION gRAIL SCoRE CALCULATIOnS
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