Covalent Docking in Drug Discovery: Scope and Limitations.

@article{Scarpino2020CovalentDI,
  title={Covalent Docking in Drug Discovery: Scope and Limitations.},
  author={Andrea Scarpino and Gy{\"o}rgy G. Ferenczy and Gy{\"o}rgy Mikl{\'o}s Keserű},
  journal={Current pharmaceutical design},
  year={2020}
}
Drug discovery efforts for new covalent inhibitors have drastically been increased in the last few years. The binding mechanism of covalent compounds entails the formation of a chemical bond between their electrophilic warhead group and the protein of interest. The use of moderately reactive warheads targeting non-conserved nucleophilic residues can improve the affinity and selectivity profiles of covalent binders as compared to their noncovalent analogues. Recent advances have also enabled… 

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