Computer Aided Drug Design and Molecular Modelling Lab, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India.
Center for Transdisciplinary Research, Department of Pharmacology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, Tamil Nadu, India.
Methods Mol Biol. 2024;2714:21-31. doi: 10.1007/978-1-0716-3441-7_2.
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.
由于其能够极大地降低化合物实验筛选的成本和时间，虚拟筛选 (VS) 已成为药物发现和开发的重要组成部分。VS 是一种在药物设计中使用的计算方法，用于从庞大的化学库中识别潜在的药物。这种方法利用分子建模和对接模拟来评估小分子与目标蛋白结合的能力。虚拟筛选有着光明的未来，因为高计算能力和现代技术可能会进一步提高该过程的准确性和速度。
