Narrative

Here we group Narratives. We tell a story of how things should work, even if it does not actually work that way yet.

• I have a ligand/ligands, and I want to find more (better) ligands. This is also called ABC

• I have a protein target (structure) and I want to find ligands that bind to it. (docking)

• I have ligands that bind to a protein and I want to find more ligands for that target (multi-ABC, SEA)

• I have ligands that have a particular phenotype/activity, and I want to generate ideas of possible mechanism of action (MOA). (SEA)

• I know what I am doing, I want to screen a large library, and I need to get access to the library of compounds I can buy (or make)

• I am just curious about the world, and I want to know more about what is going on at "docking.org"

• I want to do shape-based library screening

• I want to do pharmacophore based library screening

• I want to calculate molecular properties and predict if a compound will have good properties for in vitro, in cell, or in vivo work

• I want to learn more about molecular docking and how I can use it effectively.

• I want to learn about cheminformatics and how I can use it effectively.

• I am a chemist, I have a reaction I can run, I want to know if my reaction can produce molecules of biological interest.

• I am a biologist, I have a model organism or other experimental system, and I want to find small molecules to modulate this biological system.