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- W4309413039 endingPage "103439" @default.
- W4309413039 startingPage "103439" @default.
- W4309413039 abstract "Despite the popularity of virtual screening (VS) of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where new compound suggestions are enumerated using various algorithms. To increase the activity potency of generative approaches, they have recently been coupled with molecular docking, a leading methodology of structure-based drug design (SBDD). In this review, we summarize progress since docking-based generative models emerged. We propose a new taxonomy for these methods and discuss their importance for the field of computer-aided drug design (CADD). In addition, we discuss the most promising directions for the further development of generative protocols coupled with docking." @default.
- W4309413039 created "2022-11-27" @default.
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- W4309413039 date "2023-02-01" @default.
- W4309413039 modified "2023-10-17" @default.
- W4309413039 title "Docking-based generative approaches in the search for new drug candidates" @default.
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- W4309413039 doi "https://doi.org/10.1016/j.drudis.2022.103439" @default.
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