iPharosDreams

Now, you can see 3D molecules and perform a job for in-silico drug discovery anywhere and at any time!

iPharosDreams is a molecular visualization app for iPad that allows you to perform in-silico drug discovery. This app basically has functions that download protein structure files from Protein Data Bank, display 3D molecules, touch, rotation, zoom in/out. Hierarchy structure of molecules is shown with a table that select precisely components in a protein and related things.
Above all, you can generate pharmacophores and analyze 3D protein-ligand interaction of biological macromolecules for in-silico drug discovery. You can select a ligand from a protein and generate a binding site from the selected ligand. From the binding site, also you can generate receptor based pharmacophores and get inspiration for good hit compounds interact with the protein well.

Features:

- Hierarchy structures of molecules
- Easy and intuitive touch
- Perspective/Orthographic projection
- Binding site search
- Pharmacophore generation

更新履歴
Ligand based pharmacophore generation