- Shoichet, Brian;
- Barelier, S;
- Cummings, JA;
- Rauwerdink, AM;
- Hitchcock, DS;
- Farelli, JD;
- Almo, SC;
- Raushel, FM;
- Allen, KN;
- Shoichet, BK
Predicting substrates for enzymes of unknown function is a major postgenomic challenge. Substrate discovery, like inhibitor discovery, is constrained by our ability to explore chemotypes; it would be expanded by orders of magnitude if reactive sites could