Jung-Hsin Lin 林榮信
Research Fellow

Ways to contact me:

Fax: 886-2-2782-3122
Address: Research Center for Applied Sciences, Academia Sinica
No. 128 Academia Rd. Sec. 2, Nankang, Taipei 11529, Taiwan



Research Fields:

  • Pharmacoinformatics
  • Computational Biophysics
  • Bioinformatics
  • Structural Biology
  • Molecular Simulations

Recent Publications:

  1. Warley Gramacho, Antonio Mucherino, Jung-Hsin Lin*, and Carlile Lavor
    A new approach to the discretization of multidimensional scaling.
    Proceedings in the Federated Conference on Computer Science and Information Systems (FedCSIS). (accepted, 2016)
  2. Yu-Hsuan Chen and Jung-Hsin Lin*
    Can ligands of different functional types induce distinct dynamics in G protein-coupled receptors?
    Curr. Med. Chem. (accepted, 2016)
  3. Jung-Hsin Lin*
    Structure- and dynamics-based computational design of anticancer drugs
    Biopolymers 105: 2-9 (2016)
    [ DOI:10.1002/bip.22744 ]
  4. Ronald D Gorham, Vicente Nunez, Jung-Hsin Lin, Suzan HM Rooijakkers, Valentine I. Vullev, and Dimitrios Morikis
    Discovery of small molecules for fluorescent detection of complement activation product C3d
    J. Med. Chem. 58: 9535–9545 (2015)
    [ DOI:10.1021/acs.jmedchem.5b01062 ]
  5. Nanlan Huang and Jung-Hsin Lin*
    Recovery of the poisoned topoisomerase II for DNA religation: coordinated motion of the cleavage core revealed with the microsecond atomistic simulation
    Nucleic Acids Res. 43: 6772-6786 (2015)
    [ DOI:10.1093/nar/gkv672 ]
  6. Pei-Lung Chen, Shyang-Rong Shih, Pei-Wen Wang, Ying-Chao Lin, Chen-Chung Chu, Jung-Hsin Lin, Szu-Chi Chen, Ching-Chung Chang, Tien-Shang Huang, Keh Sung Tsai, Fen-Yu Tseng, Chih-Yuan Wang, Jin-Ying Lu, Wei-Yih Chiu, Chien-Ching Chang, Yu-Hsuan Chen, Yuan-Tsong Chen, Cathy Shen-Jang Fann, Wei-Shiung Yang and Tien-Chun Chang
    Concurrent direct human leukocyte antigen (HLA) genotyping and genome-wide association study (GWAS) reveal major genetic determinants of anti-thyroid drug-induced agranulocytosis
    Nature Communications 6:7633 (2015)
    [ DOI:10.1038/ncomms8633 ]
  7. Yu-Hsuan Chen, Jung-Hsin Lin*.
    Prediction of functional types of ligands for G protein-coupled receptors with dynamically discriminable states embedded in low dimension.
    Lecture Notes in Computer Science, 9044: 627-634 (2015)
    [ DOI:10.1007/978-3-319-16480-9_60 ]
  8. Pei-Teh Chang, Rahul Subhash Talekar, Fan-Lu Kung, Ting-Rong Chern, Chen-Wei Huang, Qing-qing Ye, Min-Yan Yang, Chao-Wu Yu, Shin-Yu Lai, Ravindra Ramesh Deore, Jung-Hsin Lin, Chien-Shu Chen, Grace Shiahuy Chen, Ji-Wang Chern.
    A newly designed molecule J2326 for Alzheimer's disease disaggregates amyloid fibrils and induces neurite outgrowth.
    Neuropharmacology 92: 146-157 (2015)
    [ DOI:10.1016/j.neuropharm.2015.01.004 ]
  9. Yi-Shan Lin, Jung-Hsin Lin, Chia-Chuan Chang, and Shoei-Sheng Lee.
    Tetrahydropyran and tetrahydrofuran-containing diarylheptanoids from Hedychium coronarium Rhizomes.
    J. Nat. Prod. 78: 181-187 (2015)
    [ DOI:10.1021/np500441r ]
  10. Laurent Sabater, Pei-Ju Fang, Chi-Fon Chang, Aurore De Rache, Enora Prado, Jerôme Dejeu, Antonio Garofalo, Jung-Hsin Lin, Jean-Louis Mergny, Eric Defrancq and Geneviève Pratviel.
    Cobalt(III)porphyrin to target G-quadruplex DNA.
    Dalton Transactions 44: 3701-3707 (2015)
    [ DOI:10.1039/c4dt03631j ]
  11. Jui-Chih Wang and Jung-Hsin Lin*.
    Scoring function for fragment-based drug discovery.
    Chapter 9 of “Methods in Molecular Biology”, Anthony Klon (Editor), Springer Verlag (2015)
    ISBN 978-1-4939-2486-8
    [ DOI:10.1007/978-1-4939-2486-8_9 ]
  12. Nanlan Huang and Jung-Hsin Lin*.
    Prediction of binding poses and binding affinities of glycans and their binding proteins using a robust scoring function for general protein-ligand interactions.
    In “Proceedings of 2013 International Beilstein Symposium on Glyco-Bioinformatics—Discovering the Subtleties of Sugars”, Martin G. Hicks and Carsten Kettner (Editors) (2014)
  13. Nan-Lan Huang and Jung-Hsin Lin*.
    Drug-Induced conformational population shifts in topoisomerase-DNA ternary complexes.
    Molecules 15: 7415-7428 (2014)
    [ DOI:10.3390/molecules19067415 ]
  14. Chiou-Tsun Tsai, Pei-Ming Yang, Ting-Rong Chern, Shu-Hui Chuang, Jung-Hsin Lin, Lars Klemm, Markus Müschen and Ching-Chow Chen.
    AID downregulation is a novel function of the DNMT inhibitor 5-aza-deoxycytidine.
    Oncotarget 5: 211-223 (2014)
  15. Jhih-Bin Chen , Ting-Rong Chern , Tzu-Tang Wei , Ching-Chow Chen , Jung-Hsin Lin*, and Jim-Min Fang*.
    Design and synthesis of dual-action inhibitors targeting histone deacetylases and HMG-CoA reductase for cancer treatment.
    J. Med. Chem. 56: 3645-3655 (2013)
    [ DOI:10.1021/jm400179b ]
  16. Jui-Chih Wang and Jung-Hsin Lin*.
    Scoring functions for prediction of protein-ligand interactions.
    Curr. Pharm. Des. 19: 2174-2182 (2013)
    [ DOI:10.2174/1381612811319120005 ]
  17. Jung-Hsin Lin*
    Challenging the magic bullet: High performance computing and drug design (Chinese)
    Science Monthly 44: 274-279 (2013)
  18. Jung-Hsin Lin*.
    Target prediction of small molecules with information of key molecular interactions.
    Curr. Top. Med. Chem. 12: 1903-1910 (2012)
    [ DOI:10.2174/156802612804547362 ]
  19. Darby Tien-Hao Chang, Chao-Hsuan Ke, Jung-Hsin Lin, and Jung-Hsien Chiang.
    AutoBind: Automatic extraction of protein-ligand binding affinity data from biological literature.
    Bioinfomatics 28: 2162-2168 (2012)
    [ DOI:10.1093/bioinformatics/bts367 ]
  20. Yi-Chao Lee, Ying-Chen Yang, Chuan-Lin Huang, Tsun-Yung Kuo, Jung-Hsin Lin, De-Ming Yang, Nai-Kuei Huang.
    When cytokinin, a plant hormone, meets the adenosine A2A receptor: A new neuroprotectant and lead for treating neurodegenerative disorders?
    PLoS ONE 7: e38865 (2012)
    [ DOI:10.1371/journal.pone.0038865 ]
  21. Jui-Chih Wang, Pei-Ying Chu, Chung-Ming Chen and Jung-Hsin Lin*.
    idTarget: a web server for identifying proteins targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach.
    Nucleic Acids Res. 40: W393-W399 (2012)
    [ DOI:10.1093/nar/gks496 ]
  22. Ravindra Ramesh Deore, Grace Shiahuy Chen, Pei-Teh Chang, Ting-Rong Chern, Shin-Yu Lai, Ming-Hsieh Chuang, Jung-Hsin Lin, Fan-Lu Kung, Chien-Shu Chen, Chun-Tang Chiou, Ji-Wang Chern.
    Discovery of N-Arylalkyl-3-hydroxy-4-oxo-3,4-dihydroquinazolin-2-carboxamide derivatives as HCV NS5B polymerase inhibitors.
    ChemMedChem 7: 850-860 (2012)
    [ DOI:10.1002/cmdc.201200058 ]
  23. Jui-Chih Wang,Jung-Hsin Lin*,Chung-Ming Chen, Alex L. Perryman, Arthur J. Olson.
    Robust scoring functions for protein-ligand interactions with quantum chemical charge models.
    J. Chem. Inf. Model. 51: 2528-2537 (2011)
    [ DOI:10.1021/ci200220v ]
  24. Carmen Romera, Oriane Bombarde, Romaric Bonnet, Dennis Gomez, Pascal Dumy,
    Patrick Calsou, Jean-Fang Gwan, Jung-Hsin Lin, Eric Defrancq, Geneviève Pratviel.
    Improvement of porphyrins for G-quadruplex DNA targeting.
    Biochimie 93:1310-1317(2011)
    [ DOI:10.1016/j.biochi.2011.06.008 ]
  25. Nai-Kuei Huang,¥ Jung-Hsin Lin,¥ Jiun-Tsai Lin, Chia-I Lin, Eric Minwei Liu, Chun-Jung Lin, Wan-Ping Chen, Yuh-Chiang Shen, Hui-Mei Chen, Jhih-Bin Chen, Hsing-Lin Lai, Chieh-Wen Yang, Ming-Chang Chiang, Yu-Shuo Wu, Chen Chang, Jiang-Fan Chen, Jim-Min Fang, Yun-Lian Lin, Yijung Chern.
    A new drug design targeting the adenosinergic system for Huntington's disease
    PLoS ONE 6:e20934(2011)
    ¥: equal contribution
    [ DOI:10.1371/journal.pone.0020934 ]
  26. Jhih-Bin Chen, Eric Minwei Liu, Ting-Rong Chern, Chieh-Wen Yang, Chia-I Lin, Nai-Kuei Huang, Yun-Lian Lin, Yijuang Chern,Jung-Hsin Lin*, and Jim-Min Fang*.
    Design and synthesis of novel dual-action compounds targeting adenosine A2A receptor and adenosine transporter for neuroprotection.
    ChemMedChem 6: 1390-1400 (2011)
    [ DOI:10.1002/cmdc.201100126 ]
  27. Jung-Hsin Lin*.
    Accommodating protein flexibility for structure-based drug design.
    Curr. Top. Med. Chem. 11: 171-178 (2011)
    [ DOI:10.2174/156802611794863580 ]
  28. Jui-Chih Wang and Jung-Hsin Lin*.
    Robust regression analysis of protein-ligand binding free energy models: toward the identification of druggable genomes.
    Int. J. Syst. Syn. Biol. 1:339-354 (2010)
  29. Darby Tien-Hao Chang, Jung-Hsin Lin , Chih-Hung Hsieh, and Yen-Jeng Oyang.
    On the design of optimization algorithms for prediction of molecular interactions.
    Int. J. Art. Intell. Tools 19: 267-280 (2010)
    [ DOI:10.1142/S0218213010000182 ]
  30. Wei-Jan Huang, Chih-Chiang Huang, Ling-Wei Hsin, Yeun-Min Tsai, Chin-Ting Lin, Jung-Hsin Lin, and Shoei-Sheng Lee.
    Improved enamine-type addition of dehydroaporphine using microwave irradiation.
    Tetrahedron Lett. 51: 3062-3064 (2010)
    [ DOI:10.1016/j.tetlet.2010.04.008 ]
  31. Jung-Hsin Lin, Jaakko Akola, and Robert O. Jones.
    Structure and dynmics of large biological molecules: ATP-binding cassette (ABC) transporters.
    In 'NIC Symposium 2010, Proceedings' G. Münster, D. Wolf, and M. Kreme (Editors), John von Neumann Institute for Computing, Jülich IAS Series Volume 3 ISBN 978-3-89336-606-4, pp. 84-91 (2010)
  32. Pei-Ming Yang, Jung-Hsin Lin, Wen-Yu Huang, Yi-Chu Lin, Shu-Hao Yeh, and Ching-Chow Chen.
    Inhibition of histone deacetylase activity is a novel function of antifolate drug methotrexate.
    Biochem. Biophys. Res. Comm. 391: 1396-1399 (2010)
    [ DOI:10.1016/j.bbrc.2009.12.072 ]
  33. Yang-Shan Lin, Jung-Hsin Lin*, and Chien-Cheng Chang.
    Molecular dynamics simulations of the rotary motor Fo under external electric fields across the membrane.
    Biophys. J. 98: 1009-1017 (2010)
    [ DOI:10.1016/j.bpj.2009.11.025 ]
  34. Po-Hsien Lee, Kuei-Ling Kuo, Pei-Ying Chu, Eric M. Liu, Jung-Hsin Lin*.
    SLITHER:a web server for generating contiguous conformations of substrate molecules entering into deep active sites of proteins or migrating through channels in membrane transporters.
    Nucleic Acids Res. 37: W559-W564 (2009)
    [ DOI:10.1093/nar/gkp359 ]
  35. Yi-Chu Lin, Jung-Hsin Lin, Chia-Wei Chou, Yu-Fan Chang, Shu-Hao Yeh, and Ching-Chow Chen.
    Statins Increase p21 through Inhibition of Histone Deacetylase activity and release of promoter-associated HDAC1/2.
    Cancer Res.68: 2375-2383 (2008)
    [ DOI:10.1158/0008-5472.CAN-07-5807 ]
  36. Rommie E. Amaro, David D. L. Minh, Lily S. Cheng, William M. Lindstrom, Jr., Arthur J. Olson, Jung-Hsin Lin, Wilfred W. Li and J. Andrew McCammon.
    Remarkable loop flexibility in avian influenza N1 and its implications for antivirial drug design.
    J. Am. Chem. Soc. 129: 7764-7765 (2007)
    [ DOI:10.1021/ja0723535 ]
  37. Shoei-Sheng Lee, U. Venkatesham, C. P. Rao, S.-H. Lam, Jung-Hsin Lin.
    Preparation of secolycorines against acetylcholinesterase.
    Bioorganic & Medicinal Chem. 15: 1034-1043 (2007)
    [ DOI:10.1016/j.bmc.2006.10.026 ]
  38. Jung-Hsin Lin*
    Computational statistical physics and drug design (Chinese)
    Physics Bimonthly 29: 920-928 (2007)
  39. Alexander L. Perryman, Jung-Hsin Lin, J. Andrew McCammon.
    Restrained molecular dynamics of HIV-1 protease:The first step in validating a new target for drug design.
    Biopolymers 82: 272-284 (2006)
    [ DOI:10.1002/bip.20497 ]
  40. Alexander L. Perryman, Jung-Hsin Lin, J.A. McCammon.
    Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structural based drug design.
    Chem. Biol. Drug Design 67: 336-345 (2006)
    [ DOI:10.1111/j.1747-0285.2006.00382.x ]
  41. D. T.-H. Chang, Y.-Z. Weng, Jung-Hsin Lin, M.-J. Hwang, Y.-J. Oyang.
    Protemot: prediction of protein binding sites with automatically extracted geometrical templates.
    Nucleic Acids Res. 34: W304-W309 (2006)
    [ DOI:10.1093/nar/gkl344 ]
  42. D. Vigil, Jung-Hsin Lin, C. A. Sotriffer, J. K. Pennypacker, J.A. McCammon and S. S. Taylor.
    A simple electrostatic switch important in the activation of type I protein kinase A by cyclic AMP.
    Prot. Sci. 15: 113-121 (2006)
    [ DOI:10.1110/ps.051723606 ]
  43. J. R. Giorgione, Jung-Hsin Lin, J.A. McCammon and A. C. Newton.
    Increased membrane affinity of the C1 domain of protein kinase Cδ components for the lack of involvement of its C2 Domain in membrane recruitment.
    J. Biol. Chem. 281: 1660-1669 (2006)
    [ DOI:10.1074/jbc.M510251200 ]
  44. D. T.-H. Chang, Y.-J. Oyang, Jung-Hsin Lin*.
    MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm.
    Nucleic Acids Res. 33: W233-W238 (2005)
    [ DOI:10.1093/nar/gki586 ]
  45. Alexander L. Perryman, Jung-Hsin Lin, J. Andrew McCammon.
    HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: Possible contributions to drug resistance and a potential new drug target site for drugs.
    Prot. Sci. 13: 1108-1123 (2004)
    [ DOI:10.1110/ps.03468904 ]
  46. Jung-Hsin Lin, Alexander L. Perryman, J. R. Schames and J. Andrew McCammom.
    The relaxed complex method:Accommodating receptor flexibility for drug design with an improved scoring scheme.
    Biopolymers 68: 47-62(2003)
    [ DOI:10.1002/bip.10218 ]
  47. Jung-Hsin Lin, Nathan A. Baker and J. Andrew McCammom.
    Bridging implicit and explicit solvent approaches for membrane electrostatics.
    Biophys. J. 83: 1374-1379 (2002)
    [ DOI:10.1016/S0006-3495(02)73908-8 ]
  48. Jung-Hsin Lin, Alexander L. Perryman, J. R. Schames and J. Andrew McCammom.
    Computational drug design acommodating receptor flexibility: The relaxed complex scheme.
    J. Am. Chem. Soc. 124: 5632-5633 (2002)
    [ DOI:10.1021/ja0260162 ]
  49. Jung-Hsin Lin, and Artur Baumgaertner.
    Stability of a melittin pore in a lipid bilayer: a molecular dynamics study.
    Biophys. J. 78: 1714-1724 (2000)
    [ DOI:10.1016/S0006-3495(00)76723-3 ]
  50. Jung-Hsin Lin, and Artur Baumgaertner.
    Molecular dynamics simulations of hydrophobic and amphiphatic proteins interacting with a lipid bilayer membrane.
    Comput.Theor.Poly.Sci. 10: 1-2 97-102 (2000)
    [ DOI:10.1016/S1089-3156(99)00062-8 ]
  51. Jung-Hsin Lin, and A. Baumgaertner.
    Molecular dynamics simulation of melittin at the POPC membrane/water interface.
    In "Molecular Dynamics on Parallel Computers", p. 336 edited by R. Esser, P. Grassberger and J. Grotendorst, World Scientific Publishing Co. Pte. Ltd., (2000)
  52. Jung-Hsin Lin, and A. Baumgaertner.
    A combined Monte Carlo/molecular dynamics simulation of a hypothetical melittin pore.
    In "Molecular Dynamics on Parallel Computers, p.338 edited by R. Esser, P. Grassberger and J. Grotendorst, World Scientific Publishing Co. Pte. Ltd., (2000).
  53. Jung-Hsin Lin, and Artur Baumgaertner.
    Adsorption of melittin to a lipid bilayer : A molecular dynamics study.
    J. Mol. Liq. 84: 89-98 (2000)
    [ DOI:10.1016/S0167-7322(99)00113-0 ]
  54. Jung-Hsin Lin, and Artur Baumgaertner.
    Computersimulation zum Transportprozess eines Proteins.
    Zeitschrift Nachrichten aus Chemie 7/8, Zeitschrift der GDCh, S.734, (1998)
  55. Jung-Hsin Lin, Nina von Westernhagen and Artur Baumgaertner.
    Computersimulation eines Ionenkanals.
    Bilder Wissenschaft,11/1998 (1998)


  1. 林榮信、陳青周、方俊民、陳志彬、陳庭榕、魏子堂
    中華民國發明專利 I 537280, (June 11, 2016-January, 21, 2034)
  2. Jung-Hsin Lin, Ching-Chow Chen, Jim-Ming Fang, Jhih-Bin Chen, Ting-Rong Chen, and Tzu-Tang Wei.
    US 9,353,061B2 (March 31, 2016-July 18, 2033)
  3. Jung-Hsin Lin, Ching-Chow Chen, Jim-Min Fang, Jhih-Bin Chen, Ting-Rong Chern, Tzu-Tang Wei.
    US 9,115,116B2 (August 25, 2015- January 20, 2034)
  4. 林榮信、方俊民、陳青周、陳庭榕、陳志彬、魏子堂
    中華民國發明專利 I 455912, (Oct. 11, 2014-July, 21, 2033)
  5. 林雲蓮、陳儀莊、方俊民、林榮信、黃乃瑰
    中華民國發明專利 I398255 (June 11, 2013-November 11, 2030)
  6. 陳儀莊、林雲蓮、黃乃瑰、林榮信、方俊民、林佳誼
    中華民國發明專利 I372627 (September 21, 2012-December 4, 2028)
  7. 陳儀莊、林雲蓮、黃乃瑰、林榮信、方俊民、林佳誼
    中華人民共和國發明專利 ZL-2008-1-0179848.X (July 4, 2012-December 4, 2028)
  8. Yijuang Chern, Yun-Lian Lin, Nai-Kuei Huang, Jung-Hsin Lin, Jim-Min Fang, and Chia-I Lin.
    US 8,192,357B2 (March 6, 2012-June 8, 2029)
  9. Jung-Hsin Lin, Jim-Min Fang, Yijuang Chern, Yun-Lian Lin, and Nai-Kuei Huang.