科研方面：长期从事AI药物设计及计算生物学领域的研究工作，具体涉及基于深度学习的药物生成与设计、蛋白质结构和功能预测、酶的催化机理、生物大分子的分子动力学模拟等。在J. Am. Chem. Soc, Nucleic Acids Res, J. Pharm. Anal, J. Chem. Inf. Model, J. Hazard. Mater, Eur. J. Med. Chem等国际权威学术期刊发表SCI检索研究论文180余篇。主持国家自然基金面上项目3项、国家自然科学基金青年基金项目1项、教育部博士点基金项目1项，参加国家十一五支撑计划重点项目1项，横向课题多项。曾任理论化学计算国家重点实验室副主任。入选“吉林省高层次人才计划”，“长春市第五批有突出贡献专家”高层次人才计划和江苏省“淮上英才”创新创业领军人才计划。现任中国化学会计算机化学专业委员会委员，吉林省化学会理事，物理化学专业委员会委员，吉林省生物物理学会理事，吉林省药物化学专业委员会委员。
近5年代表性学术论文：
1. Zhou, ZX; Zhang, HX and Zheng, QC*, Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks. Journal of Pharmaceutical Analysis 2025, 15(6), 101229
2. Zhang, Y; Zheng, QC*; Warshel, A*; Bai, C*, Key Interaction Changes Determine the Activation Process of Human Parathyroid Hormone Type 1 Receptor. Journal of the American Chemical Society 2025, 147(4), 3539-3552.
3. Feng, S; Zheng, QC*, Mechanism of 7H-Dibenzo[c,g]carbazole metabolism in cytochrome P450 1A1: Insights from computational studies. Journal of Hazardous Materials 2024, 476.
4. Fu, TT; Zhang, HX and Zheng, QC*, Assessing the role of residue Phe108 of cytochrome P450 3A4 in allosteric effects of midazolam metabolism. Physical Chemistry Chemical Physics 2024, 26(11), 8807-8814
5. Fu, TT ; Zeng, S; Zheng, QC*; Zhu, F*, The Important Role of Transporter Structures in Drug Disposition, Efficacy, and Toxicity. Drug Metabolism and Disposition 2023, 51(10), 1316-1323
6. Sun, MZ; Lyu, L and Zheng, QC*, Active Binding Modes of Caffeine with Cytochrome P450 1A2 Determine Its Metabolite Profiles. Chemical Research in Toxicology 2023, 36(8) , 1313-1320
7. Zhang, X; Li, L and Zheng, QC*, Dissecting the Effect of Temperature on Hyperthermophilic Pf2001 Esterase Dimerization by Molecular Dynamics. Journal of Chemical Information and Modeling 2023, 63(15), 4762-4771
8. Fu, TT; Zhang, HX and Zheng, QC*, Molecular Insights into the Heterotropic Allosteric Mechanism in Cytochrome P450 3A4-Mediated Midazolam Metabolism. Journal of Chemical Information and Modeling, 2023, 62(12), 5762-5770
9. Fu, TT; Li, FC; Zhang, Y; Yin, JY; Qiu, WQ; Li, XD; Liu, XG; Xin, WW; Wang, CZ; Yu, LS; Gao, JQ; Zheng, QC*; Zeng, S*; Zhu, F*, VARIDT 2.0: structural variability of drug transporter. Nucleic Acids Research 2022, 50(D1), D1417-D1431
10. Zhang, Y and Zheng, QC*, In Silico Analysis Revealed a Unique Binding but Ineffective Mode of Amantadine to Influenza Virus B M2 Channel. The Journal of Physical Chemistry Letters 2021, 12(4), 1169-1174.
