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- W3010761615 endingPage "1375" @default.
- W3010761615 startingPage "1375" @default.
- W3010761615 abstract "Drug development is one of the most significant processes in the pharmaceutical industry. Various computational methods have dramatically reduced the time and cost of drug discovery. In this review, we firstly discussed roles of multiscale biomolecular simulations in identifying drug binding sites on the target macromolecule and elucidating drug action mechanisms. Then, virtual screening methods (e.g., molecular docking, pharmacophore modeling, and QSAR) as well as structure- and ligand-based classical/de novo drug design were introduced and discussed. Last, we explored the development of machine learning methods and their applications in aforementioned computational methods to speed up the drug discovery process. Also, several application examples of combining various methods was discussed. A combination of different methods to jointly solve the tough problem at different scales and dimensions will be an inevitable trend in drug screening and design." @default.
- W3010761615 created "2020-03-23" @default.
- W3010761615 creator A5012178960 @default.
- W3010761615 creator A5035438962 @default.
- W3010761615 creator A5075993453 @default.
- W3010761615 date "2020-03-18" @default.
- W3010761615 modified "2023-10-13" @default.
- W3010761615 title "A Review on Applications of Computational Methods in Drug Screening and Design" @default.
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