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Virtual Screening Process: A Guide in Modern Drug Designing

  • Umesh Panwar,
  • Aarthy Murali,
  • Mohammad Aqueel Khan,
  • Chandrabose Selvaraj,
  • Sanjeev Kumar Singh

摘要

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.