Qiantao Wang

Affiliations: 
2012-2015 Chemical Biology and Medicinal Chemistry University of Texas at Austin, Austin, Texas, U.S.A. 
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"Qiantao Wang"
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Publications

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Deng S, Wang Q, Ren P. (2017) Estimating and modeling charge transfer from the SAPT induction energy. Journal of Computational Chemistry
Liu C, Qi R, Wang Q, et al. (2017) Capturing Many-body Interactions with Classical Dipole Induction Models. Journal of Chemical Theory and Computation
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
Rackers JA, Wang Q, Liu C, et al. (2016) An optimized charge penetration model for use with the AMOEBA force field. Physical Chemistry Chemical Physics : Pccp
Qi R, Wang Q, Ren P. (2016) General van der Waals potential for common organic molecules. Bioorganic & Medicinal Chemistry
Zhang C, Lu C, Wang Q, et al. (2015) Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate. Journal of Chemical Theory and Computation. 11: 5326-39
Wang Q, Rackers JA, He C, et al. (2015) General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field. Journal of Chemical Theory and Computation. 11: 2609-2618
Qi R, Wang LP, Wang Q, et al. (2015) United polarizable multipole water model for molecular mechanics simulation. The Journal of Chemical Physics. 143: 014504
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
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