Structure-based design is a design strategy for new chemical entities based on the three-dimensional (3D) structure of the target obtained by X-ray or nuclear magnetic resonance (NMR) studies, or from protein homology models.
Source:
PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1150 (https://doi.org/10.1351/pac199769051137)