Abstract
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.
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Acknowledgments
UP, AM, and SKS thankfully acknowledge the DST-PURSE 2nd Phase Programme grant [No. SR/PURSE Phase 2/38 (G); DST-FIST Grant [(SR/FST/LSI—667/2016)]; MHRD RUSA-Phase 2.0 grant sanctioned vide Letter no. [F.24‐51/2014‐U, Policy (TN Multi‐Gen), Department of Education, Govt of India]; Tamil Nadu State Council for Higher Education (TANSCHE) under [No. AU: S.O. (P&D): TANSCHE Projects: 117/ 202, File No. RGP/2019‐20/ALU/ HECP‐0048]; DBT-BIC, New Delhi, under Grant/Award [No. BT/PR40154/BTIS/137/ 34/2021, dated 31.12.2021]; and DBT-NNP Project, New Delhi, under Grant/Award [No. BT/PR40156/BTIS/54/2023 dated 06.02.2023] for providing the research grant and infrastructure facilities in the lab. CS thankfully acknowledge the Saveetha University for providing the infrastructure facilities to perform this work. MAK thankfully acknowledge the Alagappa University for providing the RUSA 2.0 Senior Research Fellowship [Alu/RUSA/SRF-Bioinformatics/4156/2022 dated 30.11.2022].
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Panwar, U., Murali, A., Khan, M.A., Selvaraj, C., Singh, S.K. (2024). Virtual Screening Process: A Guide in Modern Drug Designing. In: Gore, M., Jagtap, U.B. (eds) Computational Drug Discovery and Design. Methods in Molecular Biology, vol 2714. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3441-7_2
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