1. 针对翻译后修饰（PTM）开展结构系统生物学研究，利用人工智能算法构建PTM位点的功能预测模型；通过多组学数据分析构建PTM异构网络模型，并结合功能分析探讨由PTM所拓展的靶标空间，以开展药物设计研究。
2. 开展蛋白质别构机制及基于AI的药物设计研究，结合PTM及突变等功能位点，研究蛋白质的动力学性质及别构机制，进行别构化合物设计；运用人工智能算法及计算机辅助药物设计方法，构建AI药物设计模型，并开展针对关键靶标的药物设计研究。
主持科研项目（Research grants)：
1. 国家自然科学基金青年项目，20873999，靶向蛋白质精氨酸甲基转移酶PRMT1的药物发现与机理研究，2014/01-2016/12，已结题，主持
2. 江苏省属高校自然科学研究面上项目，13KJB520022, 靶向精氨酸甲基转移蛋白酶PRMT1的药物发现研究，2013/12-2015/12，已结题，主持
3. 系统生物医学教育部重点实验室开放课题，KLSB2019KF-02，基于蛋白质组学及结构蛋白质网络的胸腺癌化疗诱导机制的模型构建与应用，2020/1-2021/12, 已结题，主持
4. 新药研究国家重点实验室开放课题，SIMM2205KF-11，靶向翻译后修饰位点的药物设计方法开发，2022/5-2023/5, 已结题，主持
5. 横向项目，H201241，基于系统生物学的帕金森疾病的药物靶点发现，2020/12-2021/12，已结题，主持
6. 横向项目，H211278，针对蛋白质翻译后修饰的药物设计，2021/6-，主持
7. 国家自然科学基金面上项目，22377089，蛋白质翻译后修饰位点的功能预测及别构化合物设计研究，2024/1-2027/12，主持
本科生教学： 代谢组学
研究生教学： 蛋白质结构与功能
2023 (4 Publications)
Z. Liang, T. Liu, Q. Li, G. Zhang, B. Zhang, X. Du, J. Liu, Z. Chen, H. Ding, G. Hu, H. Lin, F. Zhu, C. Luo, Deciphering the functional landscape of phosphosites with deep neural network. Cell Reports 42, 113048 (2023) (SCI 大类一区)
F. Zhu, L. Deng, Y. Dai, G. Zhang, F. Meng, C. Luo, G. Hu, Z. Liang, PPICT: an integrated deep neural network for predicting inter-protein PTM cross-talk. Briefings in Bioinformatics 24, (2023) (SCI 大类二区)
H. Jiang, S. Zu, Y. Lu, Z. Sun, A. Adeerjiang, Q. Guo, H. Zhang, C. Dong, Q. Wu, H. Ding, D. Du, M. Wang, C. Liu, Y. Tang, Z. Liang, C. Luo, A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region. Journal of Structural Biology, 107942 (2023) (SCI 大类三区，并列通讯作者)
2022 (2 Publications)
F. Zhu, S. Yang, F. Meng, Y. Zheng, X. Ku, C. Luo, G. Hu, Z. Liang, Leveraging Protein Dynamics to Identify Functional Phosphorylation Sites using Deep Learning Models. Journal of Chemical Information and Modeling 62, 3331-3345 (2022) (SCI 大类二区)
F. Zhu, F. Li, L. Deng, F. Meng, Z. Liang, Protein Interaction Network Reconstruction with a Structural Gated Attention Deep Model by Incorporating Network Structure Information. Journal of Chemical Information and Modeling 62, 258-273 (2022) (SCI 大类二区)
2021 (4 Publications)
Y. Zhu, F. Ye, Z. Zhou, W. Liu, Z. Liang, G. Hu, Insights into Conformational Dynamics and Allostery in DNMT1-H3Ub/USP7 Interactions. Molecules 26, (2021) (SCI 大类二区,并列通讯作者)
H. Zhang, J. He, G. Hu, F. Zhu, H. Jiang, J. Gao, H. Zhou, H. Lin, Y. Wang, K. Chen, F. Meng, M. Hao, K. Zhao, C. Luo, Z. Liang, Dynamics of Post-Translational Modification Inspires Drug Design in the Kinase Family. Journal of Medicinal Chemistry 64, 15111-15125 (2021) (SCI 大类一区)
F. Meng, Z. Liang, K. Zhao, C. Luo, Drug design targeting active posttranslational modification protein isoforms. Medicinal Research Reviews 41, 1701-1750 (2021) (SCI 大类一区，并列一作)
Z. Liang, Y. Zhu, J. Long, F. Ye, G. Hu, Both intra and inter-domain interactions define the intrinsic dynamics and allosteric mechanism in DNMT1s. Computational and Structural Biotechnology Journal 41, 1701–1750 (2021) (SCI 大类二区)
2020 (2 Publications)
Z. Liang, Y. Zhu, X. Liu, G. Hu, Role of protein-protein interactions in allosteric drug design for DNA methyltransferases. Adv Protein Chem Struct Biol 121, (2020)
Z. Liang, G. M. Verkhivker, G. Hu, Integration of network models and evolutionary analysis into high-throughput modeling of protein dynamics and allosteric regulation: theory, tools and applications. Briefings in Bioinformatics 21, 815-835 (2020) (SCI 大类一区)
2018 (2 Publications)
W. Yan, D. Zhang, C. Shen, Z. Liang, G. Hu, Recent Advances on the Network Models in Target-based Drug Discovery. Current Topics in Medicinal Chemistry 18, 1031-1043 (2018) (SCI 大类三区，并列通讯作者)
Z. Liang, J. Hu, W. Yan, H. Jiang, G. Hu, C. Luo, Deciphering the role of dimer interface in intrinsic dynamics and allosteric pathways underlying the functional transformation of DNMT3A. Biochimica et Biophysica Acta. General Subjects 1862, 1667-1679 (2018) (SCI 大类二区)
2016 (1 Publication)
P. Xu, G. Hu, C. Luo, Z. Liang, DNA methyltransferase inhibitors: an updated patent review (2012-2015). Expert Opinion on Therapeutic Patents 26, 1017-1030 (2016) (SCI 大类二区)
2015 (4 Publications)
J. Lu, H. Zeng, Z. Liang, L. Chen, L. Zhang, H. Zhang, H. Liu, H. Jiang, B. Shen, M. Huang, M. Geng, S. Spiegel, C. Luo, Network modelling reveals the mechanism underlying colitis-associated colon cancer and identifies novel combinatorial anti-cancer targets. Scientific Reports 5, 14739 (2015) (SCI 大类二区，并列一作)
Z. Liang, G. Hu, Protein Structure Network-based Drug Design. Mini-Rev Med Chem 16, 1330-1343 (2015)(SCI 大类三区)
Z. Jiang, Z. Liang, B. Shen, G. Hu, Computational Analysis of the Binding Specificities of PH Domains.BioMed Research International 2015, 792904 (2015)(SCI 大类三区，并列一作)
2014 (2 Publications)
K. Zhu, X. Kong, D. Zhao, Z. Liang, C. Luo, c-MET kinase inhibitors: a patent review (2011 - 2013). Expert Opinion on Therapeutic Patents 24, 217-230 (2014) (SCI 大类二区，并列通讯作者)
Y. Xie, R. Zhou, F. Lian, Y. Liu, L. Chen, Z. Shi, N. Zhang, M. Zheng, B. Shen, H. Jiang, Z. Liang, C. Luo, Virtual screening and biological evaluation of novel small molecular inhibitors against protein arginine methyltransferase 1 (PRMT1). Organic & Biomolecular Chemistry 12, 9665-9673 (2014) (SCI 大类二区，并列通讯作者)
2013 and before (6 Publications)
Z. Liang, J. Ai, X. Ding, X. Peng, D. Zhang, R. Zhang, Y. Wang, F. Liu, M. Zheng, H. Jiang, H. Liu, M. Geng, C. Luo, Anthraquinone Derivatives as Potent Inhibitors of c-Met Kinase and the Extracellular Signaling Pathway. ACS Medicinal Chemistry Letters 4, 408-413 (2013)
Z. Liang, L. Zhang, L. Li, J. Liu, H. Li, L. Chen, K. Cheng, M. Zheng, X. Wen, P. Zhang, J. Hao, Y. Gong, X. Zhang, X. Zhu, J. Chen, H. Liu, H. Jiang, C. Luo, H. Sun, Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. Eur J Med Chem 46, (2011)
Z. Liang, D. Zhang, J. Ai, L. Chen, H. Wang, X. Kong, M. Zheng, H. Liu, C. Luo, M. Geng, H. Jiang, K. Chen, Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase. Bioorg Med Chem Lett 21, 3749-3754 (2011)
Z. Liang, L. Li, Y. Wang, L. Chen, X. Kong, Y. Hong, L. Lan, M. Zheng, C. Guang-Yang, H. Liu, X. Shen, C. Luo, K. K. Li, K. Chen, H. Jiang, Molecular basis of NDM-1, a new antibiotic resistance determinant. PLoS One(2011)
Z. Liang, X. Ding, J. Ai, X. Kong, L. Chen, C. Luo, M. Geng, H. Liu, K. Chen, H. Jiang, Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay. Organic & Biomolecular Chemistry, (2011)
Z. Liang, T. Shi, S. Ouyang, H. Li, K. Yu, W. Zhu, C. Luo, H. Jiang, Investigation of the catalytic mechanism of Sir2 enzyme with QM/MM approach: SN1 vs SN2? J Phys Chem B 114, 11927-11933 (2010)
1. 针对翻译后修饰（PTM）开展结构系统生物学研究，利用人工智能算法构建PTM位点的功能预测模型；通过多组学数据分析构建PTM异构网络模型，并结合功能分析探讨由PTM所拓展的靶标空间，以开展药物设计研究。
2. 开展蛋白质别构机制及基于AI的药物设计研究，结合PTM及突变等功能位点，研究蛋白质的动力学性质及别构机制，进行别构化合物设计；运用人工智能算法及计算机辅助药物设计方法，构建AI药物设计模型，并开展针对关键靶标的药物设计研究。
主持科研项目（Research grants)：
1. 国家自然科学基金青年项目，20873999，靶向蛋白质精氨酸甲基转移酶PRMT1的药物发现与机理研究，2014/01-2016/12，已结题，主持
2. 江苏省属高校自然科学研究面上项目，13KJB520022, 靶向精氨酸甲基转移蛋白酶PRMT1的药物发现研究，2013/12-2015/12，已结题，主持
3. 系统生物医学教育部重点实验室开放课题，KLSB2019KF-02，基于蛋白质组学及结构蛋白质网络的胸腺癌化疗诱导机制的模型构建与应用，2020/1-2021/12, 已结题，主持
4. 新药研究国家重点实验室开放课题，SIMM2205KF-11，靶向翻译后修饰位点的药物设计方法开发，2022/5-2023/5, 已结题，主持
5. 横向项目，H201241，基于系统生物学的帕金森疾病的药物靶点发现，2020/12-2021/12，已结题，主持
6. 横向项目，H211278，针对蛋白质翻译后修饰的药物设计，2021/6-，主持
7. 国家自然科学基金面上项目，22377089，蛋白质翻译后修饰位点的功能预测及别构化合物设计研究，2024/1-2027/12，主持
本科生教学： 代谢组学
研究生教学： 蛋白质结构与功能
2023 (4 Publications)
Z. Liang, T. Liu, Q. Li, G. Zhang, B. Zhang, X. Du, J. Liu, Z. Chen, H. Ding, G. Hu, H. Lin, F. Zhu, C. Luo, Deciphering the functional landscape of phosphosites with deep neural network. Cell Reports 42, 113048 (2023) (SCI 大类一区)
F. Zhu, L. Deng, Y. Dai, G. Zhang, F. Meng, C. Luo, G. Hu, Z. Liang, PPICT: an integrated deep neural network for predicting inter-protein PTM cross-talk. Briefings in Bioinformatics 24, (2023) (SCI 大类二区)
H. Jiang, S. Zu, Y. Lu, Z. Sun, A. Adeerjiang, Q. Guo, H. Zhang, C. Dong, Q. Wu, H. Ding, D. Du, M. Wang, C. Liu, Y. Tang, Z. Liang, C. Luo, A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region. Journal of Structural Biology, 107942 (2023) (SCI 大类三区，并列通讯作者)
2022 (2 Publications)
F. Zhu, S. Yang, F. Meng, Y. Zheng, X. Ku, C. Luo, G. Hu, Z. Liang, Leveraging Protein Dynamics to Identify Functional Phosphorylation Sites using Deep Learning Models. Journal of Chemical Information and Modeling 62, 3331-3345 (2022) (SCI 大类二区)
F. Zhu, F. Li, L. Deng, F. Meng, Z. Liang, Protein Interaction Network Reconstruction with a Structural Gated Attention Deep Model by Incorporating Network Structure Information. Journal of Chemical Information and Modeling 62, 258-273 (2022) (SCI 大类二区)
2021 (4 Publications)
Y. Zhu, F. Ye, Z. Zhou, W. Liu, Z. Liang, G. Hu, Insights into Conformational Dynamics and Allostery in DNMT1-H3Ub/USP7 Interactions. Molecules 26, (2021) (SCI 大类二区,并列通讯作者)
H. Zhang, J. He, G. Hu, F. Zhu, H. Jiang, J. Gao, H. Zhou, H. Lin, Y. Wang, K. Chen, F. Meng, M. Hao, K. Zhao, C. Luo, Z. Liang, Dynamics of Post-Translational Modification Inspires Drug Design in the Kinase Family. Journal of Medicinal Chemistry 64, 15111-15125 (2021) (SCI 大类一区)
F. Meng, Z. Liang, K. Zhao, C. Luo, Drug design targeting active posttranslational modification protein isoforms. Medicinal Research Reviews 41, 1701-1750 (2021) (SCI 大类一区，并列一作)
Z. Liang, Y. Zhu, J. Long, F. Ye, G. Hu, Both intra and inter-domain interactions define the intrinsic dynamics and allosteric mechanism in DNMT1s. Computational and Structural Biotechnology Journal 41, 1701–1750 (2021) (SCI 大类二区)
2020 (2 Publications)
Z. Liang, Y. Zhu, X. Liu, G. Hu, Role of protein-protein interactions in allosteric drug design for DNA methyltransferases. Adv Protein Chem Struct Biol 121, (2020)
Z. Liang, G. M. Verkhivker, G. Hu, Integration of network models and evolutionary analysis into high-throughput modeling of protein dynamics and allosteric regulation: theory, tools and applications. Briefings in Bioinformatics 21, 815-835 (2020) (SCI 大类一区)
2018 (2 Publications)
W. Yan, D. Zhang, C. Shen, Z. Liang, G. Hu, Recent Advances on the Network Models in Target-based Drug Discovery. Current Topics in Medicinal Chemistry 18, 1031-1043 (2018) (SCI 大类三区，并列通讯作者)
Z. Liang, J. Hu, W. Yan, H. Jiang, G. Hu, C. Luo, Deciphering the role of dimer interface in intrinsic dynamics and allosteric pathways underlying the functional transformation of DNMT3A. Biochimica et Biophysica Acta. General Subjects 1862, 1667-1679 (2018) (SCI 大类二区)
2016 (1 Publication)
P. Xu, G. Hu, C. Luo, Z. Liang, DNA methyltransferase inhibitors: an updated patent review (2012-2015). Expert Opinion on Therapeutic Patents 26, 1017-1030 (2016) (SCI 大类二区)
2015 (4 Publications)
J. Lu, H. Zeng, Z. Liang, L. Chen, L. Zhang, H. Zhang, H. Liu, H. Jiang, B. Shen, M. Huang, M. Geng, S. Spiegel, C. Luo, Network modelling reveals the mechanism underlying colitis-associated colon cancer and identifies novel combinatorial anti-cancer targets. Scientific Reports 5, 14739 (2015) (SCI 大类二区，并列一作)
Z. Liang, G. Hu, Protein Structure Network-based Drug Design. Mini-Rev Med Chem 16, 1330-1343 (2015)(SCI 大类三区)
Z. Jiang, Z. Liang, B. Shen, G. Hu, Computational Analysis of the Binding Specificities of PH Domains.BioMed Research International 2015, 792904 (2015)(SCI 大类三区，并列一作)
2014 (2 Publications)
K. Zhu, X. Kong, D. Zhao, Z. Liang, C. Luo, c-MET kinase inhibitors: a patent review (2011 - 2013). Expert Opinion on Therapeutic Patents 24, 217-230 (2014) (SCI 大类二区，并列通讯作者)
Y. Xie, R. Zhou, F. Lian, Y. Liu, L. Chen, Z. Shi, N. Zhang, M. Zheng, B. Shen, H. Jiang, Z. Liang, C. Luo, Virtual screening and biological evaluation of novel small molecular inhibitors against protein arginine methyltransferase 1 (PRMT1). Organic & Biomolecular Chemistry 12, 9665-9673 (2014) (SCI 大类二区，并列通讯作者)
2013 and before (6 Publications)
Z. Liang, J. Ai, X. Ding, X. Peng, D. Zhang, R. Zhang, Y. Wang, F. Liu, M. Zheng, H. Jiang, H. Liu, M. Geng, C. Luo, Anthraquinone Derivatives as Potent Inhibitors of c-Met Kinase and the Extracellular Signaling Pathway. ACS Medicinal Chemistry Letters 4, 408-413 (2013)
Z. Liang, L. Zhang, L. Li, J. Liu, H. Li, L. Chen, K. Cheng, M. Zheng, X. Wen, P. Zhang, J. Hao, Y. Gong, X. Zhang, X. Zhu, J. Chen, H. Liu, H. Jiang, C. Luo, H. Sun, Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies. Eur J Med Chem 46, (2011)
Z. Liang, D. Zhang, J. Ai, L. Chen, H. Wang, X. Kong, M. Zheng, H. Liu, C. Luo, M. Geng, H. Jiang, K. Chen, Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase. Bioorg Med Chem Lett 21, 3749-3754 (2011)
Z. Liang, L. Li, Y. Wang, L. Chen, X. Kong, Y. Hong, L. Lan, M. Zheng, C. Guang-Yang, H. Liu, X. Shen, C. Luo, K. K. Li, K. Chen, H. Jiang, Molecular basis of NDM-1, a new antibiotic resistance determinant. PLoS One(2011)
Z. Liang, X. Ding, J. Ai, X. Kong, L. Chen, C. Luo, M. Geng, H. Liu, K. Chen, H. Jiang, Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay. Organic & Biomolecular Chemistry, (2011)
Z. Liang, T. Shi, S. Ouyang, H. Li, K. Yu, W. Zhu, C. Luo, H. Jiang, Investigation of the catalytic mechanism of Sir2 enzyme with QM/MM approach: SN1 vs SN2? J Phys Chem B 114, 11927-11933 (2010)