Institution:
We have developed a computational framework to provide a partitioned 3D distribution of the molecular hydrophobicity into atomic contributions
Hy3D: Hydrophobic descriptors for drug discovery
A computational framework
Research Group:
Computational Biology and Drug Design
Researcher/s:
F. Javier Luque
Description:
Value Proposition:
Hydrophobicity, screening, quantum mechanics, molecular similarity, pharmacophore, docking
Aplication areas:
Virtual screening, 3D molecular similarity, pharmacophore, ligand docking
Target market:
Companies devoted to the discovery of novel active compounds
Technology Readiness Level (1-9): 7
Protection:
Patent
More information
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