Qiantao Wang
Affiliations: | 2012-2015 | Chemical Biology and Medicinal Chemistry | University of Texas at Austin, Austin, Texas, U.S.A. |
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Publications
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| Xu Y, Guo X, Yan D, et al. (2023) Molecular Dynamics Simulation-Driven Focused Virtual Screening and Experimental Validation of Inhibitors for MTDH-SND1 Protein-Protein Interaction. Journal of Chemical Information and Modeling |
| Chen Y, Zheng Y, Fong P, et al. (2020) The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors. Physical Chemistry Chemical Physics : Pccp |
| Edupuganti R, Taliaferro JM, Wang Q, et al. (2017) Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth. Bioorganic & Medicinal Chemistry |
| Kaoud TS, Johnson WH, Ebelt ND, et al. (2016) Abstract 3771: Discovery of a covalent inhibitor of ERK docking-interactions that inhibits A375 melanoma cells proliferation Cancer Research. 76: 3771-3771 |
| Wang Q, Edupuganti R, Tavares CD, et al. (2015) Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis. Frontiers in Molecular Biosciences. 2: 9 |
| Devkota AK, Edupuganti R, Yan C, et al. (2014) Reversible covalent inhibition of eEF-2K by carbonitriles. Chembiochem : a European Journal of Chemical Biology. 15: 2435-42 |
| Edupuganti R, Wang Q, Tavares CD, et al. (2014) Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors. Bioorganic & Medicinal Chemistry. 22: 4910-6 |
| Tavares CD, Ferguson SB, Giles DH, et al. (2014) The molecular mechanism of eukaryotic elongation factor 2 kinase activation. The Journal of Biological Chemistry. 289: 23901-16 |
| Wang Q, Park J, Devkota AK, et al. (2014) Identification and validation of novel PERK inhibitors. Journal of Chemical Information and Modeling. 54: 1467-75 |
| Mu X, Wang Q, Wang LP, et al. (2014) Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field. The Journal of Physical Chemistry. B. 118: 6456-65 |