Dr. Lin, Jung-Hsin 's publons link picture

Dr. Lin, Jung-Hsin

Joint Appointment Research Fellow
  • 26523993 (IBMS) (Lab) (Room No: 234)
  • (02) 2787-3143 (RCAS)
  • (02) 2787-3122 (Fax)

  • Pharmacoinformatics
  • Computational Biophysics

Education and Positions:
  • Ph.D., University of Duisburg, Germany

We have been focusing on the development and application of molecular mechanics-based computational methods to investigate the interactions among biomolecules, with an emphasis on the significance of biomolecular dynamics, so as to provide a more solid basis for unraveling molecular interactions. Molecular dynamics simulations facilitated with high performance computing are performed to provide the dynamical information not available by X-ray crystallography and nuclear magnetic resonance experiments, and such information will further assist computational drug design of novel chemical entities. Besides, our lab also develops methods to predict the previously unknown targets of natural products or even marketed drugs. One of such examples is that in 2007 we successfully predicted that statins are also inhibitors of HDAC, which plays an important role in the epigenetic mechanism of carcinogenesis, which lead to the design and synthesis of new generation statins that have significantly improved anticancer efficacy.  In addition to topics directly related to computational drug design, recently we also employed molecular dynamics simulations to investigate the molecular mechanism of molecular motors, including ATP synthases and FtsZ,  conformational transitions in the telomeric DNA quadruplexes, and the alternative access mechanism of membrane transporters at the sub-molecular level.

Our Team
Team photo

Journal 68 Book 5

  1. Daniel Förster, Jérôme Idier, Leo Liberti, Antonio Mucherino, (Jung-Hsin Lin) and Thérèse E. Malliavin Low-resolution description of the conformational space for intrinsically disordered proteins SCIENTIFIC REPORTS 12, 19057-19057 (2022-11-9) [JCR] [WOS]
  2. Dhananjay C. Joshi, Charlie Gosse, Shu-Yu Huang and (Jung-Hsin Lin*) A curvilinear-path umbrella sampling approach to characterizing the interactions between rapamycin and three FKBP12 variants FRONTIERS IN MOLECULAR BIOSCIENCES 9, 879000-879000 (2022-07-08) [JCR] [WOS]
  3. Wei Lim Chonga, Visit Vao-soongnern, Piyarat Nimmanpipug, Chatchai Tayapiwatana, (Jung-Hsin Lin,) Yi-Ling Lin, Hui Yee Cheeg, Sharifuddin Md Zain Molecular dynamics simulations and Gaussian network model for designing antibody mimicking protein towards dengue envelope protein JOURNAL OF MOLECULAR LIQUIDS 346, 118086-118086 (2022-01-15) [JCR] [WOS]
  4. Antonio Mucherino, Douglas Gonçalves, Leo Liberti, (Jung-Hsin Lin*), Carlile Lavor, Nelson Maculan MD-jeep: a New Release for Discretizable Distance Geometry Problems with Interval Data Annals of Computer Science and Information Systems 21, 289-294 (2020-10) [JCR] [WOS]
  5. Chen, CT, Liao, LZ, Lu, CH,Huang, YH, Lin, YK, (Lin, JH),Chow, LP Quantitative phosphoproteomic analysis identifies the potential therapeutic target EphA2 for overcoming sorafenib resistance in hepatocellular carcinoma cells EXPERIMENTAL AND MOLECULAR MEDICINE 52(3), 497-513 (2020-03) [JCR] [WOS]
  6. Jung-Hsin Lin Dynamics of Melttin Pores in Liposomes Probed by All-Atom Simulations Biophysical Society Meeting 382 (2020-02) [JCR] [WOS]
  7. Dhananjay C. Joshi and (Jung-Hsin Lin) Investigating the Role of Interfacial Waters in Protein-Protein Recognition Mechanism Biophysical Society Meeting 503 (2020-02) [JCR] [WOS]
  8. Joshi Dhananjay C., (Lin Jung‐Hsin*) Delineating Protein–Protein Curvilinear Dissociation Pathways and Energetics with Naïve Multiple‐Walker Umbrella Sampling Simulations Journal of Computational Chemistry 40(17) 1652-1663 (2019-06) [JCR] [WOS]
  9. Mucherino Antonio*, (Lin Jung-Hsin*), Gonçalves Douglas S. A Coarse-Grained Representation for Discretizable Distance Geometry with Interval Data Bioinformatics and Biomedical Engineering 3-13 (2019) [JCR] [WOS]
  10. Mucherino Antonio, (Lin Jung-Hsin*) An Efficient Exhaustive Search for the Discretizable Distance Geometry Problem with Interval Data Proceedings of the 2019 Federated Conference on Computer Science and Information Systems 18, 135-141 (2019) [JCR] [WOS]