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Virtual Screening Process: A Guide in Modern Drug Designing.

Umesh PanwarAarthy MuraliMohammad Aqueel KhanChandrabose SelvarajSanjeev Kumar Singh
Published in: Methods in molecular biology (Clifton, N.J.) (2023)
Due to its capacity to drastically cut the cost and time necessary for experimental screening of compounds, virtual screening (VS) has grown to be a crucial component of drug discovery and development. VS is a computational method used in drug design to identify potential drugs from enormous libraries of chemicals. This approach makes use of molecular modeling and docking simulations to assess the small molecule's ability to bind to the desired protein. Virtual screening has a bright future, as high computational power and modern techniques are likely to further enhance the accuracy and speed of the process.
Keyphrases
  • drug discovery
  • small molecule
  • protein protein
  • molecular dynamics
  • drug induced
  • current status
  • molecular dynamics simulations
  • adverse drug
  • emergency department
  • risk assessment
  • human health
  • climate change