Login / Signup

Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances.

Sarah Naomi BolzMichael Schroeder
Published in: Expert opinion on drug discovery (2023)
Examination of structural data is essential for understanding and quantifying promiscuity. The recent advancements in structure prediction have resulted in an abundance of targets that are well-suited for structure-based methods like docking. In silico approaches may eventually completely transform our understanding of drug-target networks by complementing the millions of predicted protein structures with billions of predicted drug-target interactions.
Keyphrases
  • drug discovery
  • protein protein
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • current status
  • high resolution
  • small molecule
  • binding protein
  • wastewater treatment
  • anaerobic digestion