Effective virtual screening strategy toward JAK3 covalent inhibitors: combining multi‑conformational consensus calculation with covalent docking.
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| Title: | Effective virtual screening strategy toward JAK3 covalent inhibitors: combining multi‑conformational consensus calculation with covalent docking. |
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| Authors: | Zhu J; School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China. jingyuzhu@jiangnan.edu.cn., Qiu G; School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China., Xu L; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, 213001, China., Cai Y; School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China., Chen Y; School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China., Jin J; School of Life Sciences and Health Engineering, Jiangnan University, Wuxi, 214122, Jiangsu, China. |
| Source: | Molecular diversity [Mol Divers] 2026 Jun; Vol. 30 (3), pp. 3741-3755. Date of Electronic Publication: 2025 Aug 21. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1573-501X |
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| DOI: | 10.1007/s11030-025-11329-w |
