Prediction of new C-terminal Hsp90 inhibitors based on deguelin scaffold: homology modeling, virtual screening, QM/MM docking, MM/GBSA, and molecular dynamics simulations.
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| Title: | Prediction of new C-terminal Hsp90 inhibitors based on deguelin scaffold: homology modeling, virtual screening, QM/MM docking, MM/GBSA, and molecular dynamics simulations. |
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| Authors: | Abbasi, Maryam1,2 (AUTHOR) mabbasi@hums.ac.ir, Talaei, Setareh3 (AUTHOR), Farshidfar, Gholamreza4 (AUTHOR) |
| Source: | Research in Pharmaceutical Sciences. Nov/Dec2025, Vol. 20 Issue 6, p824-835. 12p. |
| Database: | Academic Search Ultimate |
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| ISSN: | 17355362 |
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| DOI: | 10.4103/RPS.RPS_219_24 |
