华东师范大学朱通

kitty8523

朱通，华东师范大学。2013年博士毕业于华东师范大学精密光谱国家重点实验室，2016-2017年台湾中央研究院生物医学科学研究所访问学者，现为华东师范大学化学与分子工程学院副研究员。主要研究方向为采用量化计算及分子动力学模拟研究复杂化学体系的结构与性质，包括金属离子与蛋白质/核酸的相互作用和碳氢燃料的燃烧机理。本次报告主要围绕基于神经网络实现碳氢燃料的燃烧模拟展开。


朱通
部门：化学与分子工程学院
毕业院校：华东师范大学
学位：博士
学历：研究生
邮编：200062
联系电话：021-62235445
传真：021-62232403
电子邮箱：tzhu@lps.ecnu.edu.cn
办公地址：中山北路校区理科大楼A1008a
通讯地址：上海市中山北路3663号华东师大理科大楼A1008a


工作经历
副研究员    2015至今    华东师范大学化学与分子工程学院
访问学者    2016-2018    台湾“中央研究院” 生物医学科学研究所
博士后    2014-2015    华东师范大学化学与分子工程学院


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.