2023

1. Jian Li#, Jina Sun#, Xianglei Zhang#, Ruxue Zhang#, Qian Wang, Lin Wang, Xiong Xie, Chunpu Li, Yu Zhou, Jiang Wang, Gengfu Xiao*, Fang Bai* and Hong Liu*. Synthesis of maleimide-braced peptide macrocycles and their potential anti-SARS-CoV-2 mechanisms. Chemical Communications. 2023(cover story)

2. Pengxuan Ren#, Changyue Yu#, Ruxue Zhang#, Tianqing Nie#, Qiaoyu Hu#, Hui Li, Xianglei Zhang, Xueyuan Zhang, Shiwei Li, Lu Liu, Wenhao Dai, Jian Li, Yechun Xu, Haixia Su*, Leike Zhang*, Hong Liu*, Fang Bai*. Discovery, synthesis and mechanism study of 2,3,5-substituted [1,2,4]-thiadiazoles as covalent inhibitors targeting 3C-Like protease of SARS-CoV-2. European Journal of Medicinal Chemistry. 2023, 249, 115129.

3. Angela Bononi, Qian Wang, Alicia A. Zolondick, Fang Bai, Mika Steele-Tanji, Joelle S. Suarez, Sandra Pastorino, Abigail Sipes, Valentina Signorato, Angelica Ferro, Flavia Novelli, Jin-Hee Kim, Michael Minaai, Yasutaka Takinishi, Laura Pellegrini, Andrea Napolitano, Ronghui Xu, Christine Farrar, Chandra Goparaju, Cristian Bassi, Massimo Negrini, Ian Pagano, Greg Sakamoto, Giovanni Gaudino, Harvey I. Pass, José N. Onuchic*, Haining Yang*, and Michele Carbone*. BAP1 is a novel regulator of HIF-1α. PNAS. 2023, 120(4): e2217840120.

2022

1. Shan Sun#, Yan Gao#, Xiaolin Yang, Xiuna Yang, Tianyu Hu, Liang Jingxi, Zhiqi Xiong, Yuting Ran, Pengxuan Ren, Fang Bai, Luke W Guddat, Haitao Yang*, Zihe Rao*, Bing Zhang*. Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB. Protein & Cell. 2022.

2. Lin Wang#, Feng-lei Li, Xin-yue Ma, Yong Cang, and Fang Bai*. PPI-Miner: A Structure and Sequence Motif Co-Driven Protein–Protein Interaction Mining and Modeling Computational Method. Journal of Chemical Information and Modeling. 2022.

3. Fenglei Li#, Qiaoyu Hu#, Xianglei Zhang#, Renhong Sun#, Zhuanghua Liu#, Sanan Wu, Siyuan Tian, Xinyue Ma, Zhizhuo Dai, Xiaobao Yang*, Shenghua Gao*, Fang Bai*. DeepPROTACs is a deep learning-based targeted degradation predictor for PROTACs. Nature Communications. 2022, 13: 7133.

4. Haixia Liu#, Qianglong Mi#, Xinyu Ding#, Chencen Lin#, Linyi Liu, Chaowei Ren, ShuTing Shen, YuBao Shao, Jinju Chen, Yongqi Zhou, Liting Ji, Heqiao Zhang, Fang Bai*, Xiaobao Yang*, Qianqian Yin*, Biao Jiang*. Discovery and characterization of novel potent BCR-ABL degraders by conjugating allosteric inhibitor. European Journal of Medicinal Chemistry. 2022.

5. Qi-lei Han#, Xiang-lei Zhang#, Peng-xuan Ren, Liang-he Mei, Wei-hong Lin, Lin Wang, Yu Cao, Kai Li* and Fang Bai*. Discovery, evaluation and mechanism study of WDR5- targeted small molecular inhibitors for neuroblastoma. Acta Pharmacologica Sinica. 2022, 0:1–11.

6. Fang Bai#*, Hualiang Jiang. Computationally Elucidating the Binding Kinetics for Different AChE Inhibitors to Access the Rationale for Improving the Drug Efficacy. J. Phys.Chem.B2022.

7. Haofeng Wang#, Yunjie Xiao#, Xia Chen#, Mengwen Zhang, Guangxin Sun, Feng Wang, Lin Wang, Hanxiao Zhang, Xiaoyu Zhang, Xin Yang, Wenling Li, Yi Wei, Deqiang Yao, Bing Zhang, Jun Li, Wen Cui, Fenghua Wang, Cheng Chen, Wei Shen, Dan Su, Fang Bai, Jinhai Huang, Sheng Ye, Lei Zhang, Xiaoyun Ji, Wei Wang*, Zefang Wang*, Mark Hochstrasser* & Haitao Yang*. Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nature Communications. 2022, 13: 1608.

8. Xin Liu#, Jiale Yu#, Siyu Tao#, Beiyuan Yang, Shike Wang, Lin Wang, Fang Bai and Jie Zheng*. PiLSL: pairwise interaction learning-based graph neural network for synthetic lethality prediction in human cancers. Bioinformatics2022, 38, ii106–ii112.

9. Ola Karmi#, Henri-Baptiste Marjault#, Fang Bai, Susmita Roy, Yang-Sung Sohn, Merav Darash Yahana, Faruck Morcos, Konstantinos Ioannidis, Yaakov Nahmias, Patricia A. Jennings, Ron Mittler, José N. Onuchic*, and Rachel Nechushtai*. A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics. PNAS. 2022, 119(7): e2121491119.

10. Shiwei Li#, Sanan Wu#, Lin Wang, Fenglei Li, Hualiang Jiang, and Fang Bai*. Recent advances in predicting protein–protein interactions with the aid of artificial intelligence algorithms. Current Opinion in Structural Biology2022, 73: 102344. (invited review)

11. Bo Hou#, Yu-Min Zhang#, Han-Yi Liao#, Li-Feng Fu, De-Dong Li, Xin Zhao, Jian-Xun Qi, Wei Yang, Geng-Fu Xiao, Lian Yang, Zheng-Yu Zuo, Lin Wang, Xiang-Lei Zhang, Fang Bai, Liu Yang, George F Gao, Hao Song*, Jiang-Miao Hu*, Wei-Juan Shang*, Jun Zhou*. Target-Based Virtual Screening and LC/MS-Guided Isolation Procedure for Identifying Phloroglucinol-Terpenoid Inhibitors of SARS-CoV-2. Journal of Natural Products. 2022, 85(2): 327-336.

12. Qian Li#, Jia-Xin Tan#, Yong He#, Fang Bai, Shi-Wei Li, Yi-Wen Hou, Long-Shan Ji, Ya-Ting Gao, Xin Zhang, Zhen-Hua Zhou, Zhuo Yu, Miao Fang, Yue-Qiu Gao*, Man Li*. Atractylenolide III ameliorates Non-Alcoholic Fatty Liver Disease by activating Hepatic Adiponectin Receptor 1-Mediated AMPK Pathway. International Journal of Biological Sciences. 2022, 18(4): 1594-1611.

13. Zhongneng Zhou#, Zijing Chen#, Xiu-Wen Kang, Yalin Zhou, Bingyao Wang*, Siwei Tang, Shuhua Zou, Yifei Zhang, Qiaoyu Hu, Fang Bai, Bei Ding*, and Dongping Zhong*. The nature of proton-coupled electron transfer in a blue light using flavin domain. PNAS. 2022, 119(26): e2203996119.

2021

1. Qian Wang#, Lin Wang#, Yumin Zhang#, XiangLei Zhang, Leike Zhang, Weijuan Shang*, and Fang Bai*. Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications. J. Med. Chem. 2021.

2. Wang Lin#,Yan Wu#, Sheng Yao#, Huan Ge#, Ya Zhu, Kun Chen, Wen-zhang Chen, Yi Zhang, Wei Zhu, Hong-yang Wang, Yu Guo, Pei-xiang Ma, Peng-xuan Ren, Xiang-lei Zhang, Hui-qiong Li, Mohammad A. Ali, Wen-qing Xu, Hua-liang Jiang, Lei-ke Zhang*, Lili Zhu*, Yang Ye*, Wei-juan Shang*, Fang Bai*. Discovery of Potential Small Molecular SARS-CoV-2 Entry Blockers Targeting the Spike Protein. Acta Pharmacologica Sinica. 2021, 0: 1-9. (cover story)

3. Penxuan Ren#, Weijuan Shang#, Wanchao Yin#, Huan Ge#, Lin Wang, Xianglei Zhang, Bingqian Li, Honglin Li, Yechun Xu, Eric H. Xu, Hualiang Jiang, Lili Zhu*, Leike Zhang*, and Fang Bai*. A Multi-Targeting Drug Design Strategy for Identifying Potent Anti-SARS-CoV-2 Inhibitors. Acta Pharmacologica Sinica. 2021, 0: 1-11.

4. Bingqian Li#, Wang Lin#, Huan Ge#, Xianglei Zhang, Ren Pengxuan, Yu Guo, Wuyan Chen, Jie Li, Wei Zhu, Wenzhang Chen, Lili Zhu*, Fang Bai*. Identification of Potential Binding Sites of Sialic Acids on the RBD Domain of SARS-CoV-2 Spike Protein. Frontiers in Chemistry. 2021, 9: 154.

5. Jiaxing Tang#, Yan Zou, Long Li, Fengping Lu, Hongtao Xu, Pengxuan Ren, Fang Bai, Xuekai Zhu*. BAY 60-6583 enhances the antitumor function of chimeric antigen receptor-modified T cells independent of the adenosine A2b receptor. Frontiers in Pharmacology. 2021, 12: 619800.

6. Zhou Yu#, Yan Fu#, Wanchao Yin#, Jian Li, Wei Wang, Fang Bai, Shengtao Xu, Qi Gong, Tao Peng, Yu Hong, Dong Zhang, Dan Zhang, Qiufeng Liu, Yechun Xu, H. Eric Xu, Haiyan Zhang*, Hualiang Jiang*, and Hong Liu*. Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. Journal of Medicinal Chemistry. 2021, 64(4): 1844-1855.

7. Zheng Wang#, Mohit Hulsurkar, Lijuan Zhuo, Jinbang Xu, Han Yang, Samira Naderinezhad, Lin Wang, Guoliang Zhang, Nanping Ai, Linna Li, Jeffrey T.Chang, Songlin Zhang, Ladan Fazli, Chad J. Creighton, Fang Bai, Michael M. Ittmann, Martin E. Gleave, Wenliang Li*. CKB inhibits epithelial-mesenchymal transition and prostate cancer progression by sequestering and inhibiting AKT activation. Neoplasia. 2021, 23(11), 1147–1165.

8. Li Fenglei#, Hu Qiaoyu, Xiong Ruofan, Bai Fang*. Computational drug design methods by deep learning algorithms. Chinese Journal of Nature. 2021, 43(5): 383-390.

9. Flavia Novelli#, Angela Bononi#, Qian Wang, Fang Bai, Simone Patergnani, Franz Kricek, Ellinor Haglund, Joelle S. Suarez, Mika Tanji, Ronghui Xu, Yasutaka Takanishi, Michael Minaai, Sandra Pastorino, Paul Morris, Greg Sakamoto, Harvey I. Pass, Haithem Barbour, Giovanni Gaudino, Carlotta Giorgi, Paolo Pinton, Jose N. Onuchic, Haining Yang*, and Michele Carbone*. BAP1 forms a trimer with HMGB1 and HDAC1 that modulates gene × environment interaction with asbestos. PNAS. 2021, 118(48): e2111946118.

2020

1. Dai, Wenhao#, Bing Zhang#, Xia-Ming Jiang#, Haixia Su#, Jian Li, Yao Zhao, Xiong Xie, Zhenming Jin, Jingjing Peng, Fengjiang Liu, Chunpu Li, You Li, Fang Bai, Haofeng Wang, Xi Cheng, Xiaobo Cen, Shulei Hu, Xiuna Yang, Jiang Wang, Xiang Liu, Gengfu Xiao, Hualiang Jiang, Zihe Rao, Lei-Ke Zhang*, Yechun Xu*, Haitao Yang*, and Hong Liu*. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease, Science. 2020, 368: 1331.

2. Guo Wen-Hao#, Xiaoli Qi#, Xin Yu, Yang Liu, Chan- I. Chung, Fang Bai, Xingcheng Lin, Dong Lu, Lingfei Wang, Jianwei Chen, Lynn Hsiao Su, Krystle J. Nomie, Feng Li, Meng C. Wang, Xiaokun Shu, José N. Onuchic, Jennifer A. Woyach, Michael L. Wang, and Jin Wang*. Enhancing intracellular accumulation and target engagement of PROTACs with reversible covalent chemistry. Nature Communications. 2020, 11: 4268.

3. Jin, Zhenming#, Xiaoyu Du#, Yechun Xu#, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng, Yinkai Duan, Jing Yu, Lin Wang, Kailin Yang, Fengjiang Liu, Rendi Jiang, Xinglou Yang, Tian You, Xiaoce Liu, Xiuna Yang, Fang Bai, Hong Liu, Xiang Liu, Luke W. Guddat, Wenqing Xu, Gengfu Xiao, Chengfeng Qin, Zhengli Shi, Hualiang Jiang*, Zihe Rao*, and Haitao Yang*. 2020. ‘Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature. 2020, 582: 289-93.

4. Jingjing Wang#, Meng Wu#, Lijie Wu, Yueming Xu, Fei Li, Yiran Wu, Petr Popov, Lin Wang, Fang Bai, Suwen Zhao, Zhi-Jie Liu, and Tian Hua*. The structural study of mutation-induced inactivation of human muscarinic receptor M4. International Union of Crystallograph. 2020, 7, 294–305.

5. Su, Hai-xia#, Sheng Yao#, Wen-feng Zhao#, Min-jun Li#, Jia Liu#, Wei-juan Shang, Hang Xie, Chang-qiang Ke, Hang-chen Hu, Mei-na Gao, Kun-qian Yu, Hong Liu, Jing-shan Shen, Wei Tang, Lei-ke Zhang, Geng-fu Xiao, Li Ni, Dao-wen Wang, Jian-ping Zuo, Hua-liang Jiang, Fang Bai*, Yan Wu*, Yang Ye*, and Ye-chun Xu*. Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacologica Sinica. 2020, 41: 1167-77.

6. M. Ajmal Ali#, Mohammad Abul Farah*, Khalid M. Al-Anazi, Syed Hussain Basha, Fang Bai, Joongku Lee, Fahad M.A. Al-Hemaid, Ahmed Hossam Mahmoud, Waleed A.Q. Hailan. In Silico Elucidation of the Plausible Inhibitory Potential of Withaferin A of Withania Somnifera Medicinal Herb Against Breast Cancer Targeting Estrogen Receptor. Current Pharmaceutical Biotechnology. 2020, 21: 842-851.

2019

1. Anat Iosub-Amir#, Fang Bai#, Yang-Sung Sohn, Luhua Song, Sagi Tamir, Henri-Baptiste Marjault, Guy Mayer, Ola Karmi, Patricia A. Jennings, Ron Mittler, José N. Onuchic*, Assaf Friedler* and Rachel Nechushtai*. The anti-apoptotic proteins NAF-1 and iASPP interact to drive apoptosis in cancer cells. Chemical Science. 2019, 10: 665-673.

2. Colin H. Lipper#, Jason T. Stofleth#, Fang Bai, Yang-Sung Sohn, Susmita Roy, Ron Mittler, Rachel Nechushtai, José N. Onuchic*, and Patricia A*. Jennings. Redox-dependent gating of VDAC by mitoNEET. Proceedings of the National Academy of Sciences of the United States of America. 2019, 116: 19924-19929.

3. Ron Mittler#, Merav Darash-Yahana#, Yang Sung Sohn, Fang Bai, Luhua Song, Ioav Z. Cabantchik, Patricia A. Jennings, Jose´ N. Onuchic, and Rachel Nechushtai*. NEET proteins: A new link between iron metabolism, ROS and cancer. Antioxid. Redox Signal. 2019, 30: 1083-1095.

2018 and BEFORE

1. Fang Bai#, Kangdong Liu#, Huiliang Li#, Jiawei Wang, Junsheng Zhu, Pei Hao, Lili Zhu, Shoude Zhang, Lei Shan, Weiya Ma, Ann M. Bode, Weidong Zhang*, Honglin Li* and Zigang Dong*. Veratraimine modulates AP-1-depdendent gene transcription by directly binding to programmable DNA. Nucleic Acids Research. 2018, 46: 546-557.

2. Fang Bai#, Xiaoping Pi#, Ping Li, Pingzheng Zhou, Huaiyu Yang, Xicheng Wang, Min Li, Zhaobing Gao* and Hualiang Jiang*. A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel. Frontiers in Pharmacology. 2018, 9: 150.

3. Mohammad Ibrahim Alallah#, Fahad Alhemaid, Fang Bai, Ramzi Ahmed Mothana, Mohamed Soliman Elshikh, Mohammad Abul Farah, Mohammad Ajmal Ali*, Joongku Lee, Khalid Mashay Al-Anazi. The binding proximity of methyl β-lilacinobioside isolated from Caralluma retrospiciens with topoisomerase II attributes apoptosis in breast cancer cell line. Saudi Journal of Biological Sciences. 2018, 25:1826-1833.

4. Zheqiong Tan#, Lanbo Xiao#, Min Tang#, Fang Bai, Jiangjiang Li, Liling Li, Feng Shi, Namei Li, Yueshuo Li, Qianqian Du, Jingchen Lu, Xinxian Weng, Wei Yi, Hanwen Zhang, Jia Fan, Jian Zhou, Qiang Gao, José N. Onuchic, Ann M. Bode, Xiangjian Luo*, Ya Cao*. Targeting CPT1A-mediated fatty acid oxidation sensitizes nasopharyngeal carcinoma to radiation therapy. Theranostics 2018, 8: 2329-2347.

5. Ola Karmi#, Sarah H. Holt#, Luhua Song#, Sagi Tamir, Yuting Luo, Fang Bai, Ammar Adenwalla, Merav Darash-Yahana, Yang-Sung Sohn, Patricia A. Jennings, Rajeev K. Azad, Jose’ N. Onuchic, Faruck Morcos, Rachel Nechushtai*, Ron Mittler*. Interaction between mitoNEET and NAF-1 in Cells. Plos one 2017, 12(4): e0175796.

6. Fang Bai#, Faruck Morcos#, Ryan R. Cheng#, Hualiang Jiang*, and José N. Onuchic*. Elucidating the druggable interface of protein-protein interactions using fragment-docking and coevolutionary analysis. Proceedings of the National Academy of Sciences of the United States of America2016, 113: E8051–E8058.

7. Kendrick H. Yim#, Thomas L. Prince#, Shiwei Qu, Fang Bai, Patricia A. Jennings, José N. Onuchic, Emmanuel A. Theodorakis, and Leonard Neckers*. Gambogic acid identifies an isoform-specific druggable pocket in the middle domain of Hsp90β. Proceedings of the National Academy of Sciences of the United States of America. 2016, 113: E4801-E4809.

8. Merav Darash-Yahana#, Yair Pozniak#, Mingyang Lu#, Yang-Sung Sohn, Ola Karmi, Sagi Tamir, Fang Bai, Luhua Song, Patricia A. Jennings, Eli Pikarsky, Tamar Geiger, José N. Onuchic*, Ron Mittler*, and Rachel Nechushtai*. Breast cancer tumorigenicity is dependent on high expression levels of NAF-1 and the lability of its Fe-S clusters. Proceedings of the National Academy of Sciences of the United States of America. 2016, 113: 10890-10895.

9. Xiao-Yi Zeng#, Hao Wang, Fang Bai, Xiu Zhou, Song-Pei Li, Lu-Ping Ren, Ruo-Qiong Sun, Charlie C L Xue, Hua-Liang Jiang, Li-Hong Hu, and Ji-Ming Ye*. Identification of matrine as a promising novel drug for heptatic steatosis and glucose intolerance with HSP72 as an upstream target. British Journal of Pharmacology. 2015, 172: 4303-4318.

10. Fang Bai#, Faruck Morcos#, Yang-Sung Sohn, Merav Darash-Yahana, Celso O. Rezende, Colin H. Lipper, Mark L. Paddock, Luhua Song, Yuting Luo, Sarah H. Holt, Sagi Tamir, Emmanuel A. Theodorakis, Patricia A. Jennings, José N. Onuchic*, Ron Mittler*, and Rachel Nechushtai*. The Fe-S cluster-containing NEET proteins mitoNEET and NAF-1 as chemotherapeutic targets in breast cancer. Proceedings of the National Academy of Sciences of the United States of America. 2015, 12: 3698-3703.

11. Fang Bai#, Sha Liao#, Junfeng Gu, Hualiang Jiang, Xicheng Wang, Honglin Li*. An accurate metalloprotein-specific scoring function and molecular docking program devised by a dynamic sampling and iteration optimization strategy. Journal of Chemical Information and Modeling. 2015, 55: 833-847.

12. Fang Bai#, Yechun Xu, Jing Chen, Qiufeng Liu, Junfeng Gu, Xicheng Wang, Jianpeng Ma, Honglin Li*, José N. Onuchic*, and Hualiang Jiang*. Free energy landscape for the binding process of Huperzine A to acetylcholinesterase. Proceedings of the National Academy of Sciences of the United States of America. 2013, 110: 4273-4278.

13. Chong Wang#, Yi Jiang#, Jinming Ma#, Huixian Wu, Daniel Wacker, Vsevolod Katritch, Gye Won Han, Wei Liu, Xi-Ping Huang, Eyal Vardy, John D. McCorvy, Xiang Gao, Edward X. Zhou, Karsten Melcher, Chenghai Zhang, Fang Bai, Huaiyu Yang, Linlin Yang, Hualiang Jiang, Bryan L. Roth, Vadim Cherezov, Raymond C. Stevens*, and H. Eric Xu*. Structural Basis for Molecular Recognition at Serotonin Receptors. Science, 2013, 340: 610-614.

14. Wei Zhou#, Xiaofeng Liu#, Zhengchao Tu#, Lianwen Zhang, Xin Ku, Fang Bai, Zhenjiang Zhao, Yufang Xu*, Ke Ding*, Honglin Li*. Discovery of Pteridin-7(8H)-one-Based Irreversible Inhibitors Targeting the Epidermal Growth Factor Receptor (EGFR) Kinase T790M/L858R Mutant. Journal of Medicinal Chemistry. 2013, 56: 7821-7837.

15. Fang Bai#, Hongyan Liu#, Linjiang Tong, Wei Zhou, Li Liu, Zhenjiang Zhao, Xiaofeng Liu, Hualiang Jiang, Xicheng Wang, Hua Xie*, Honglin Li*. Discovery of novel selective inhibitors for EGFR-T790M/L858R. Bioorganic & Medicinal Chemistry Letters. 2012, 22: 1365-1370.

16. Junfeng Gu#, Fang Bai, Honglin Li, and Xicheng Wang*. A Generic Force Field for Protein Coarse-Grained Molecular Dynamics Simulation. International Journal of Molecular Science. 2012, 13(11): 14451-14469.

17. Shoude Zhang#, Weiqiang Lu#, Xiaofeng Liu#, Yanyan Diao, Fang Bai, Liyan Wang, Lei Shan*, Jin Huang*, Honglin Li* and Weidong Zhang*. Fast and effective identification of the bioactive compounds and their targets from medicinal plants via computational chemical biology approach. MedChemComm.2011, 2: 471-477.

18. Fang Bai#, Xiaofeng Liu#, Jiabo Li, Haoyun Zhang, Hualiang Jiang, Xicheng Wang*, and Honglin Li*. Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods. BMC Bioinformatics. 2010, 11: 545.

19. Xiaofeng Liu#, Fang Bai, Sisheng Ouyang, Xicheng Wang, Honglin Li*, and Hualiang Jiang*. Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation. BMC Bioinformatics. 2009, 10: 101.