Chemistry
How Molecular Docking Predicts Ligand-Binding Affinity at Receptor Sites
Quick fact
Molecular docking can virtually screen thousands of candidate drug molecules against a protein target in a single day, long before any chemical is synthesized or tested in a lab.
Why this is interesting
You've probably seen a key fitting into a lock, but what if both the key and the lock are shaped by thousands of weak molecular forces? How do scientists predict which drug will bind best—without touching a single test tube?