基于深度学习和计算生物的药物筛选设计

包括：

1.小分子-药物相互作用预测，小分子药物筛选及设计等方法开发及运用

2.抗体设计相关方法开发和运用，例如抗体亲和力增强点突变，抗体-抗原作用预测

3.酶设计

蛋白-药物分子、蛋白-蛋白以及蛋白-核酸的相互作用

   

l   本科   (2016.9-2010.6)	-          生物工程专业 -          江西中医药大学
l   研究生 (2010.9-2013.6) 导师：纪志梁教授	-          遗传专业, 生物信息学方向 -          厦门大学
l   博士   (2014.1-2018.6) 导师：鲁兰园教授	-          计算生物专业 -          南洋理工大学

l   博士后+助理研究员（2018.7-2022.2） 导师:   魏彦杰研究员	-          深度学习辅助药物研究 -          中国科学院深圳先进技术研究院
l   副研究员（2022.2-至今）	-          药物筛选设计 -          中国科学院深圳先进技术研究院

[1] 张海平, Hongjie Fan, Jixia Wang, Tao Hou, Konda Mani Saravanan, Wei Xia , Hei Wun Kan, Junxin Li, John Z.H. Zhang, Xinmiao Liang, Yang Chen. Revolutionizing GPCR-Ligand Predictions: DeepGPCR with experimental Validation for High-Precision Drug Discovery. Briefing in bioinformatics[J]. 2024, 第 1 作者  通讯作者  null(null): 
[2] Cells. 2024, 第 8 作者  通讯作者  
[3] Wei Xia, Jin Xiao, Hengwei Bian, Jiajun Zhang, John Z.H., Zhang, Haiping Zhang. Deep Learning-Based Construction of a Drug-Like Compound Database and Its Application in Virtual Screening of HsDHODH Inhibitors. Methods[J]. 2024, 第 6 作者  通讯作者  null(null): 
[4] Konda Mani Saravanan, Jiang-Fan Wan, Liujiang Dai, Jiajun Zhang, John Z.H. Zhang, Haiping Zhang. A deep learning based multi-model approach for predicting drug-like chemical compound's toxicity. Methods[J]. 2024, 第 6 作者  通讯作者  null(null): 
[5] Haiping Zhang, Konda Mani Saravanan. Advances in Deep Learning Assisted Drug Discovery Methods: A Self-review. Current Bioinformatics[J]. 2024, 第 1 作者null(null): 
[6] Zhang, Haiping, Saravanan, Konda Mani, Zhang, John Z H. DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction. MOLECULES[J]. 2023, 第 1 作者  通讯作者  28(12): http://dx.doi.org/10.3390/molecules28124691.
[7] Zhang, Haiping, Saravanan, Konda Mani, Wei, Yanjie, Jiao, Yang, Yang, Yang, Pan, Yi, Wu, Xuli, Zhang, John Z H. Deep Learning-Based Bioactive Therapeutic Peptide Generation and Screening. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2023, 第 1 作者  通讯作者  63(3): 835-845, http://dx.doi.org/10.1021/acs.jcim.2c01485835J.
[8] Zhang, Haiping, Lin, Xiao, Wei, Yanjie, Zhang, Huiling, Liao, Linbu, Wu, Hao, Pan, Yi, Wu, Xuli. Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery. FRONTIERS IN MOLECULAR BIOSCIENCES[J]. 2022, 第 1 作者  通讯作者  9: http://apps.webofknowledge.com/CitedFullRecord.do?product=UA&colName=WOS&SID=5CCFccWmJJRAuMzNPjj&search_mode=CitedFullRecord&isickref=WOS:000812040200001.
[9] Zhang, Haiping, Saravanan, Konda Mani, Yang, Yang, Wei, Yanjie, Yi, Pan, Zhang, John Z H. Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components. BRIEFINGS IN BIOINFORMATICS[J]. 2022, 第 1 作者  通讯作者  23(4): http://dx.doi.org/10.1093/bib/bbac226.
[10] Zhang, Haiping, Zhang, Tingting, Saravanan, Konda Mani, Liao, Linbu, Wu, Hao, Zhang, Haishan, Zhang, Huiling, Pan, Yi, Wu, Xuli, Wei, Yanjie. DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening. METHODS[J]. 2022, 第 1 作者205: 247-262, http://dx.doi.org/10.1016/j.ymeth.2022.07.009.
[11] Zhang, Haiping, Li, Junxin, Saravanan, Konda Mani, Wu, Hao, Wang, Zhichao, Wu, Du, Wei, Yanjie, Lu, Zhen, Chen, Youhai H, Wan, Xiaochun, Pan, Yi. An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2. FRONTIERS IN PHARMACOLOGY[J]. 2021, 第 1 作者12: http://dx.doi.org/10.3389/fphar.2021.772296.
[12] Konda Mani Saravanan, Haiping Zhang, Huiling Zhang, Wenhui Xi, Yanjie Wei. On the Conformational Dynamics of β-Amyloid Forming Peptides: A Computational Perspective. FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY[J]. 2020, 第 2 作者8: https://doaj.org/article/c5e33ed216cc4c04ba20239eb0e72c7f.
[13] Zhang, Haiping, Saravanan, Konda Manu, Lin, Jinzhi, Liao, Linbu, Ng, Justin TzeYang, Zhou, Jiaxiu, Wei, Yanjie. DeepBindPoc: a deep learning method to rank ligand binding pockets using molecular vector representation. PEERJ[J]. 2020, 第 1 作者8: https://doaj.org/article/93c20f424b9d4a768c57fb0e0fd44743.
[14] Zhang, Haiping, Kai, Eric L J, Lu, Lanyuan. Investigating the stability of dengue virus envelope protein dimer using well-tempered metadynamics simulations. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[J]. 2020, 第 1 作者88(5): 643-653, http://dx.doi.org/10.1002/prot.25844.
[15] Zhang, Haiping, Saravanan, Konda Mani, Yang, Yang, Hossain, Md Tofazzal, Li, Junxin, Ren, Xiaohu, Pan, Yi, Wei, Yanjie. Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov. INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES[J]. 2020, 第 1 作者12(3): 368-376, http://dx.doi.org/10.1007/s12539-020-00376-6.
[16] Zhang, Haiping, Yang, Yang, Li, Junxin, Wang, Min, Saravanan, Konda Mani, Wei, Jinli, Ng, Justin TzeYang, Hossain, Md Tofazzal, Liu, Maoxuan, Zhang, Huiling, Ren, Xiaohu, Pan, Yi, Peng, Yin, Shi, Yi, Wan, Xiaochun, Liu, Yingxia, Wei, Yanjie. A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro. PLOS COMPUTATIONAL BIOLOGY[J]. 2020, 第 1 作者16(12): https://doaj.org/article/471cc95322164c9b80d0e64bf5632825.
[17] Yang, Longhe, Ji, Chunyan, Li, Yitian, Hu, Fan, Zhang, Fang, Zhang, Haiping, Li, Long, Ren, Jie, Wang, Zhaokai, Qiu, Yan. Natural Potent NAAA Inhibitor Atractylodin Counteracts LPS-Induced Microglial Activation. FRONTIERS IN PHARMACOLOGY[J]. 2020, 第 6 作者11: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7565389/.
[18] Saravanan, Konda Mani, Zhang, Haiping, Zhang, Huiling, Xi, Wenhui, Wei, Yanjie. On the Conformational Dynamics of beta-Amyloid Forming Peptides: A Computational Perspective. FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY. 2020, 第 2 作者8: https://www.webofscience.com/wos/woscc/full-record/WOS:000543823800001.
[19] Zhang, Haiping, Liao, Linbu, Cai, Yunting, Hu, Yuhui, Wang, Hao. IVS2vec: A tool of Inverse Virtual Screening based on word2vec and deep learning techniques. METHODS[J]. 2019, 第 1 作者166: 57-65, http://dx.doi.org/10.1016/j.ymeth.2019.03.012.
[20] Zhang, Haiping, Pan, Jianbo, Wu, Xuli, Zuo, AiRen, Wei, Yanjie, Ji, ZhiLiang. Large-Scale Target Identification of Herbal Medicine Using a Reverse Docking Approach. ACS OMEGA[J]. 2019, 第 1 作者4(6): 9710-9719, https://www.webofscience.com/wos/woscc/full-record/WOS:000473361500012.
[21] Zhang, Haiping, Liao, Linbu, Saravanan, Konda Mani, Yin, Peng, Wei, Yanjie. DeepBindRG: a deep learning based method for estimating effective protein-ligand affinity. PEERJ[J]. 2019, 第 1 作者7: https://doaj.org/article/c3a06a2ffbe246f9ba02206d847ef4f2.