Aurora D. Costache, Ph.D.
Affiliations: | 2006 | Marquette University, Milwaukee, WI, United States |
Area:
Organic Chemistry, Pharmaceutical Chemistry, BiochemistryGoogle:
"Aurora Costache"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Daniel Sem | grad student | 2006 | Marquette University | |
| (Docking and cheminformatic analysis of protein -ligand interactions: Cytochromes P450 (2D6 and P450cam) and estrogen receptors from human and zebrafish.) | ||||
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| Costache AD, Sheihet L, Zaveri K, et al. (2009) Modeling polymer-drug interactions in biodegradable Tyrosine-derived nanospheres using Molecular dynamics simulations and docking studies Technical Proceedings of the 2009 Nsti Nanotechnology Conference and Expo, Nsti-Nanotech 2009. 2: 76-78 |
| Costache AD, Trawick D, Bohl D, et al. (2007) AmineDB: large scale docking of amines with CYP2D6 and scoring for druglike properties--towards defining the scope of the chemical defense against foreign amines in humans. Xenobiotica; the Fate of Foreign Compounds in Biological Systems. 37: 221-45 |
| Yao H, McCullough CR, Costache AD, et al. (2007) Structural evidence for a functionally relevant second camphor binding site in P450cam: model for substrate entry into a P450 active site. Proteins. 69: 125-38 |
| Costache AD, Pullela PK, Kasha P, et al. (2005) Homology-modeled ligand-binding domains of zebrafish estrogen receptors alpha, beta1, and beta2: from in silico to in vivo studies of estrogen interactions in Danio rerio as a model system. Molecular Endocrinology (Baltimore, Md.). 19: 2979-90 |
| Yao H, Costache AD, Sem DS. (2004) Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System. Journal of Chemical Information and Computer Sciences. 44: 1456-65 |
| Sem DS, Bertolaet B, Baker B, et al. (2004) Systems-based design of bi-ligand inhibitors of oxidoreductases: filling the chemical proteomic toolbox. Chemistry & Biology. 11: 185-94 |