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Did You Know?

Therefore it allows us to put several seeds at the same time into the regions that have significant interactions with the seeds and adjust their favorite conformation first, and then connect those seeds into a continuous ligand in a manner that make the rest part of the ligand having the lowest energy.

The expressed target is then used to establish a screening assay.

What is really meant by drug design is ligand design.

When a ligand is inserted into the pocket site of a receptor, conformation favor for these groups on the ligand that can bind tightly with receptor should be taken priority.

The rationale of this algorithm lies in the fact that organic structures can be decomposed into basic chemical fragments.

These two strategies above are well used in most structure-based drug design programs.