Office: 541 Salk Hall

Phone: (412) 624-8137


Dr. Zhiwei Feng is an Assistant Professor of Pharmaceutical Sciences, Scientific Administrator of Computational Chemical Genomics Screening (CCGS) Center (, School of Pharmacy. 

Dr. Feng obtained his PhD degree from Soochow University in China 2013. He then received postdoctoral training in Dr. Xiang-Qun Xie group at the School of Pharmacy, University of Pittsburgh.  His research mainly focused on the field of Computer Aided Drug Discovery, computational tools/platforms development, system pharmacology analysis and clinical big data analysis.

He has been highly productive in research and publication during my career. He has published over 36 papers in scholarly journals with international circulation for the last 5 years, including 14 publications with first author, 14 publications with co-first author and one book chapter.

1 Graphics Processing Unit (GPU)-Accelerated Drug Design Platforms
2 Developing Drug/Chemical Probes for Special/Important Targets and Systems Pharmacology Analyses
3 Dynamics Mechanism of Protein and Nano-Bio-Material using Molecular Dynamics Simulation
4 GPU-Accelerated Chemical Genomics Computing Algorithms/Tools for Clinical Big Data Statistics Analysis
5 Machine Learning Algorithm for Big-Data/Clinical Data and Systems Pharmacology Analyses

1.            Zhiwei Feng, Mohammed Hamed Alqarni, Peng Yang, Qin Tong, Ananda Chowdhury, Lirong Wang, and Xiang-Qun Xie*. "Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs". J. Chem. Inf. Model. 2014, 54, 2083- 2049. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
2.            Zhiwei Feng, Larry V. Pearce, Xiaomeng Xu, Xiaole Yang, Peng Yang, Peter M. Blumberg*, and Xiang-Qun Xie*. "Structural Insight into Tetrameric hTRPV1 from Homology Modeling, Molecular Docking, Molecular Dynamics Simulation, Virtual Screening and Bioassay Validations". J. Chem. Inf. Model, 2015, 55 (3), pp 572–588. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
3.            Zhiwei Feng, Shifan Ma, Guanxing Hu, and Xiang-Qun Xie*. "Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family". AAPS J, 2015, 17 (3), 1-17. (IF:3.819, Rank: Q1 in Pharmacology & Pharmacy)
4.            Zhiwei Feng, Stanton Kochanek, David Close, LiRong Wang, Ajay Srinivasan, Abdulrahma A. Almehizia, Prema Iyer, Xiang-Qun Xie*, Paul Johnston* and Barry Gold*. "Design and Activity of AP Endonuclease-1 Inhibitors". J. Chem. Bio, 2015, DOI: 10.1007/s12154-015-0131-7, 8(3) 79-93.
5.            Zhiwei Feng, Guanxing Hu, Shifan Ma, Xiang-Qun Xie*. "Computational Advances for the Developments of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors". AAPS J, 2015, 17(5),1080-1095. (IF:3.819, Rank: Q1 in Pharmacology & Pharmacy)
6.            Zhiwei Feng, Larry V. Pearce, Yu, Zhang, Changrui Xing, Brienna K.A. Herold, Shifan Ma, Ziheng Hu, Noe A. Turcios, Peng Yang, Qin Tong, Anna K. McCall, Peter M. Blumberg*, and Xiang-Qun Xie*."Multi-Functional Diarylurea Small Molecule Inhibitors of TRPV1 with Therapeutic Potential for Neuroinflammation". AAPS.J, 2016, online, DOI: 10.1208/s12248-016-9888-z. (IF:3.819, Rank: Q1 in Pharmacology & Pharmacy)
7.            Jiangpin Hu҂, Zhiwei Feng҂(equal-first author), Shifan Ma, Yu Zhang, Mohammed Hamed Alqarni, Qin Tong and Xiang-Qun Xie*."Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery". J. Chem. Inf. Model, 2016, 56,1152-1163, DOI: 10.1021/acs.jcim.5b00739. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
8.            Hai Zhang҂, Shifan Ma҂, Zhiwei Feng҂ (equal-first author), Dongyao Wang҂, Chengjian Li, Yan Cao, Xiaofei Chen, Aijun Liu, Zhenyu Zhu, Junping Zhang, Guoqing Zhang, Yifeng Chai,* Lirong Wang,* and Xiang-Qun Xie*. "Disease-Specific Chemogenomics Knowledgebase-Guided Systems Pharmacology Approach for Target Identification and Drug Synergy and Antagonism Mechanism Study of A Combinational Herbal Medications", Scientific Report. 2016, 6:33963. (IF:5.228, Rank: Q1 in Multidisciplinary Sciences)
9.            Xiaomeng Xu҂, Shifan Ma҂, Zhiwei Feng҂(equal-first author), Lirong Wang Xiang-Qun Xie*. "Chemogenomics Knowledgebase and Systems Pharmacology for Hallucinogen Target Identification - Salvinorin A as a Case Study". J.Mol. Graph.Model. 2016, 70,284-293. (IF:1.674, Rank: Q2 in Computer Science, Interdisciplinary Application)
10.          Yu Zhang, Lirong Wang, Haizi Cheng, Yahui Ding, Zhiwei Feng, Tao Cheng, Yingdai Gao and Xiang-Qun Xie*."StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics: Knowledge Base for Target Identification and Systems-Pharmacology " J. Chem. Inf. Model, 2016, 56,1995-2004. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
11.          Zhiwei Feng҂, Yu Zhang҂, Shifan Ma, Ziheng Hu, Tao Cheng, Yingdai Gao, Peng Yang and Xiang-Qun Xie*."Protein-Protein Interface Based p18INK4C Inhibitors for Hematopoietic Stem Cell Expansion in Murine Bone Marrow and Human Cord Blood. ACS Chem.Biol, 2017, revision. (IF:5.09, Rank: Q1 in Biochemistry & Molecular Biology)
12.          Hyunjoo Cha-Molstad ҂, Ji Eun Yu҂, Zhiwei Feng҂(equal-first author), Su Hyun Lee҂, Jung Gi Kim ҂, Peng Yang҂, Young Dong Yoo, Joonsung Hwang, Terry McGuire , Sang Mi Shim, Hyun Dong Song, Srinivasrao Ganipisetti, Nuozhou Wang , Jun Min Jang, Min Jae Lee, Seung Jun Kim, Kyung Ho Lee, Jin Tae Hong, Aaron Ciechanover, Inhee Mook-Jung, Xiang-Qun Xie*, Yong Tae Kwon*, and Bo Yeon Kim*. "The N-end rule pathway mediates autophagic proteolysis", Nature Communicatio, 2017, 8:102.  (IF:11.3, Rank: Q1 in Cell Biology)
13.          Yuemin Bian҂, Zhiwei Feng҂(equal -first author), Peng Yang, Xiang-Qun Xie*. "Fragment-based Discovery of Allosteric Modulators on Metabotropci Glutamate Receptor 5." AAPS Journal, 2017, 19(4)1235-1248. (IF:3.819, Rank: Q1 in Pharmacology & Pharmacy)
14.          Jiyoung Lee҂, Zhiwei Feng҂(equal -first author), Xiang-Qun Xie*, Ivet Bahar*. "Allosteric Modulation of Intact γ-Secretase Structureal Dynamics", Biophysical Journal, 2017, Inpress. (IF:3.632, Rank: Q1 in Biochemical Research Methods)
15.          Zhiwei Feng҂, Feng Lin҂, Yuemin Bian҂, Ying Xue, Yigong Shi*, Xiang-Qun Xie*. "Novel γ-secretase for the therapeutic potential of Alzheimer Disease", Nature Communicatio, 2017, To be submitted.  (IF:11.3, Rank: Q1 in Cell Biology)
16.          Abdulrahman Almehizia, Peng Yang, Zhiwei Feng, Qin Tong, Xiang-Qun Xie*. "Design, Synthesis, and Biological Evaluation of Novel Cannabinoid Receptor 2 Ligand 4-(aminomethyl)-N,N-diethylaniline Derivatives". 2017, European Journal of Medicinal Chemistry, under view. (IF:3.902, Rank: Q1 in Chemistry, Medicinal)
17.          Si Chen҂, Zhiwei Feng҂(equal -first author), Yun Wang҂, Shifan Ma, Ziheng Hu, Peng Yang, Yifeng Chai*, and Xiang-Qun Xie*. "Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay", J. Chem. Inf. Model, 2017, 57(5),1101-1111, DOI:10.1021/acs.jcim.6b00672. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
18.          Ying Xue҂, Zhiwei Feng҂(equal -first author), Xiaoye Li҂, Ziheng Hu, Qing Xu, Zi Wang, Jiahui Cheng, Hongtao Shi, Qibing Wang,Hongyi Wu, Xiangqun Xie*, Qianzhou Lv*. "The efficacy and safety of cilostazol as an alternative to aspirin after coronary stent implantation in patients with intolerance to aspirin: A combination of clinical study and computational system pharmacology analysis" Acta Pharmacologica Sinica, 2017,1-8, doi:10.1038/aps.2017.85. (IF:3.166, Rank: Q2 in Chemistry, Multidisciplinary)
19.          Nan Wu, Zhiwei Feng҂(equal -first author), Bin Xi, Junmei Wang, and Xiang-Qun Xie*. “Computational Chemogenomics & Systems Pharmacology Analyses of Captagon Abuse”, J. Med. Chem. 2017, to be submitted.
20.          Yuanqiang Wang, Zhiwei Feng҂(equal -first author), Liyong Zhang, Shifan Ma, Nan Wu, and Xiang-Qun Xie*. “Novel PPI inhibitor for p62 ZZ domain and RIP1 Intermediate Domain”, J. Med. Chem. 2017, to be submitted.
21.          Xiaotian Sun҂, Zhiwei Feng҂ (equal-first author), Tingjun Hou, Youyong Li*. "Mechanism of Graphene Oxide as an Enzyme Inhibitor from Molecular Dynamics Simulations". ACS Applied Materials & Interfaces, 2014, 6 (10), 7153–7163. (IF:7.145, Rank: Q1 in Nanoscience & Nanotechnology, Materials Science and Multidisciplinary)
22.          Xiaotian Sun҂, Zhiwei Feng҂(equal-first author), Liling Zhang, Tingjun Hou, Youyong Li*. "The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations". Plos One, 2014, DOI: 10.1371/journal.pone.0107696, 9(9): e107696. (IF:3.057, Rank: Q1 in Multidisciplinary Science)
23.          Pengli Tan҂, Zhiwei Feng҂(equal-first author), Liling Zhang,Tingjun Hou, Youyong Li. "The Mechanism of Proton Translocation in Respiratory Complex I from Molecular Dynamics". J. Recept. Sig. Transd. 2015, DOI: 10.3109/10799893.2014.942464, 35(2), 170-179. (IF:1.782, Rank: Q4 in Biochemistry & Molecular Biology)
24.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "The Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations". J.Chem.Inf. Model. 2012, 52, 1005- 1014. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
25.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Concerted Movement in pH-Dependent Gating of FocA from Molecular Dynamics". J.Chem.Inf. Model., 2012, 52, 2119-2131. (IF:3.657, Rank: Q1 in Chemistry, Medicinal, Computer Science)
26.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Unidirectional Peristaltic Movement in Multisite Drug Binding Pocket of AcrB from Molecular Dynamics Simulations" Molecular. Biosystem. 2012, 8, 2699-2709. (IF:2.829, Rank: Q2 in Biochemistry & Molecular Biology)
27.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Selectivity and Activation of Dopamine D3R Receptor from Molecular Dynamics". J. Mol. Model.2012, 18, 5051-5063. (IF:1.438, Rank: Q3 in Chemistry, Medicinal, Computer Science)
28.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Docking and MD Study of Histamine H4R Based on the Crystal Structure of H1R". J.Mol. Graph.Model. 2013, 39, 1-12. (IF:1.674, Rank: Q2 in Computer Science, Interdisciplinary Application)
29.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Molecular Dynamics Study of the Conformational Changes of Nucleoside Transporter vcCNT under Sodium Gradients". Mol. Biosys, 2013, 9, 2142-2153. (IF:2.829, Rank: Q2 in Biochemistry & Molecular Biology)
30.          Zhiwei Feng, Tingjun Hou, Youyong Li*. "Structure-Based Drug Design for Dopamine D3 Receptor". Comb. Chem. High Throughput Screen, 2012, 15, 775-791. (IF:1.041, Rank: Q3 in Chemistry, Applied)
31.          Zhiwei Feng, Xu-hong Tian*, Shan Chang*. "A Parallel Molecular Docking Approach Based on Graphic Processing Unit", Bioinformatics and Biomedical Engineering. 2010, 4, 1-4.
32.          Chongqian Zhang, Tingjun Hou, Zhiwei Feng, Youyong Li*. "Structure-Based Development of Antagonists for Chemokine Receptor CXCR4". Curr. Computer-aided Drug Des. 2012, 9, 60-75. (IF:1.155, Rank: Q3 in Computer Science, Interdisciplinary Application)
33.          Chongqian Zhang, Chunmiao Du, Zhiwei Feng, Jingyu Zhu, Youyong Li*. "Hologram Quantitative Structure Activity Relationship, Docking, and Molecular Dynamics Studies of Inhibitors for CXCR4". Curr. Computer-aided Drug Des. 2015, 85, 119-136. (IF:1.155, Rank: Q3 in Computer Science, Interdisciplinary Application)
34.          Ming Liu, Tingjun Hou, Zhiwei Feng, Youyong Li*. "The Flexibility of P-Glycoprotein for its Poly-Specific Drug Binding from Molecular Dynamics". J. Biomol. Struct. Dyn. 2013, 31, 612. (IF:2.3, Rank: Q3 in Biochmistry & Molecular Biology)