Virtual Screening

Virtual screening approaches are becoming a more essential tool for finding leads. VS is a computational technique that searches virtual fragment libraries for probable hits using computer algorithms. VS is a computational technique that uses a large and diverse library of chemical compounds to discover lead molecules. In comparison to an experimental strategy such as high-throughput screening, VS is a crucial technique for creating lead compounds since it is faster, more cost-effective, and less resource-intensive. Virtual screening has grown in popularity as a technique for developing alternative ways for choosing an appropriate selection of compounds, minimizing excessive resource expenses, and preventing the generation of unwanted compounds. Virtual screening has the potential to play a unique role in studying the interactions of all existing natural compounds with all potential targets. Virtual screening, which uses either structure-based approaches (protein structure or homology model with known/identified binding site) or ligand-based approaches to find novel hits, is a strong way to find new hits (chemical structures of known modulators of the target).

• Bioactivity Prediction
• Drug Discovery
• Lead Discovery
• Machine Learning
• Molecular Databases
• Pharmacophore Screening
• Protein-Ligand Docking
• Structure-Based Virtual Screening