个人简介
The first and greatest victory is to conquer yourself; to be conquered by yourself is of all things most shameful and vile!
社会兼职
Biophysical Journal, ACS Omega, Scientific Reports, Journal of Computational Chemistry, RSC Advances, Molecular Simulation, Journal of Molecular Modeling, Journal of Chemical Information and Modeling, Journal of Chemical Theory and Computation, Journal of Physical Chemistry A/B, Physical Chemistry Chemical Physics, Chemical Physics Letters 等杂志审稿人。
论文
Z Gao, J Bao, S Shi, X Zhang, Y Gao, Zhu T.*,Effect of Mutations on Drug Resistance of Smoothened Receptor Toward Inhibitors Probed by Molecular Modeling. Chem. Phys. Lett. 2020, 741, 137126.
Xianli Hu, Bo Hou, Zhiai Xu, Madiha Saeed, Fang Sun, Zhenmei Gao, Yi Lai, Zhu T, Fan Zhang, Wen Zhang, Haijun Yu*.Supramolecular Prodrug Nanovectors for Active Tumor Targeting and Combination Immunotherapy of Colorectal Cancer. Adv. Sci. 2020, 7, 1903332
Zeng, J. Z.; Cao, L. Q.; Xu, M. Y.; Zhu T.*; Zhang, J. Z. H.*, Neural Network Based in Silico Simulation of Combustion Reactions. arXiv:1911.12252.
Zeng, J. Z.,‡ Cao, L. Q., ‡ Chin, C. H.;* Ren, H. S.;* Zhang, J. Z. H.; Zhu T.*, ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations. Phys. Chem. Chem. Phys.,2020, 22, 683-691.
Chin, C. H.*; Zhu, T.*; Zhang, J. Z. H.,Formation mechanism and spectroscopy of C6H radicals in extreme environments: a theoretical study.Phem. Chem. Chem. Phys., 2019, 21, 23044-23055.
Tian, S. Z.; Zeng, J. Z.; Liu, X.*; Chen, J. Z.; Zhang, J. Z. H.; Zhu, T.*, Understanding the selectivity of inhibitors toward PI4KIIIa and PI4KIIIb based molecular modeling. Phem. Chem. Chem. Phys., 2019, 21, 22103-22112.
Chen, J. Z.*; Pang, L. X.; Wang, W.; Wang, L. F.; Zhang, J. Z. H.; Zhu T.*, Binding modes and conformational changes of FK506-binding protein 51 induced by inhibitor bindings: insight into molecular mechanisms based on multiple simulation technologies. J. Biomol. Struct. Dyn.,2019, 21, 22103-22112. J. Biomol. Struct. Dyn., 2019, DOI: 10.1080/07391102.2019.1624616.
Xu, M.Y.; Zhu, T.*; Zhang J. Z. H.*,Molecular Dynamics Simulation of Zinc Ion in Water with an Ab Initio Based Neural Network Potential. J. Phys. Chem. A, 2019, 123, 6587-6595.
Tang, Q.; Plank, T. N.; Zhu, T.; Yu H. Z.; Ge Z. L.; Li Q.; Li L.; Davis J. T.*; Pei H.*, Self-Assembly of Metallo-Nucleoside Hydrogels for Injectable Materials That Promote Wound Closure. ACS Appl. Mater. Interfaces. 2019, 11, 19743−19750
Zhao, P.; Han, S.; Li, X. X.*; Zhu, T.*; Tao, X. F.; Guo, L., Comparison of RP-3 Pyrolysis Reactions Between Surrogates and 45-component Model by ReaxFF MD Simulations. ACS Energy Fuels., 2019, 33, 7176-7187.
Sun, Z. X.*; Wang, X. H.; Zhao, Q. Q.; Zhu, T., Understanding Aldose Reductase-Inhibitors interactions with free energy simulation. J. Mol. Graph. Model., 2019, 91, 10-21.
Chen, J. Z.*; Wang, X. Y.; Pang, L. X.; Zhang, J. Z. H.; Zhu, T.*, Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations. Nucleic Acids Res., 2019, 47,6618-6631.
Zhao, P.; Cao, H. L.; Chen, Y.; Zhu, T.*, Insights into the binding mechanisms of inhibitors of MDM2 based on molecular dynamics simulations and binding free energy calculations. Chem. Phys. Lett., 2019, 728, 94-101.
Chen, J. Z.*; Pang, L. X.; Wang, W.; Wang, L. F.; Zhang, J. Z. H.; Zhu, T.*, Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations. J. Biomol. Struct. Dyn., 2019, 8, 1-12.
Zhu, M. F.; Wang, H.; Wang, C. L.; Fang, Y. F.; Zhu, T.; Zhao, W. L.; Dong, X. C.*; Zhang, X. W.*, L-4, a Well-Tolerated and Orally Active Inhibitor of Hedgehog Pathway, Exhibited Potent Anti-tumor Effects Against Medulloblastoma in vitro and in vivo. Front. Pharm., 2019, 10, 1-13.
Xu, M. Y.; Zhu, T.*; Zhang, J. Z. H.*, A Fragment Quantum Mechanical Method for Metalloproteins. J. Chem. Theory Comput., 2019, 15, 1430–1439.