Dataset related to publication: Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure
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下载链接:
https://zenodo.org/record/5772316
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资源简介:
MD simulation data related to the publication Ivana Mejdrová et al.:Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure
Individual .zip files contain raw-desmond trajectories (trj. zip files)
individual raw-data.zip files corresponde to the trajectory analysis.
5us_XVP_619 corresponding name in the manuscript is ; 5us_XVP_37
5us_XVP_676 corresponding name in the manuscript is ; 5us_XVP_39
5us_XVP_693 corresponding name in the manuscript is ; 5us_XVP_40
5us_XVP_763 corresponding name in the manuscript is ; 5us_XVP_48
5us_XVP_CIT corresponding name in the manuscript is ; 5us_XVP_CITCO
创建时间:
2022-08-18



