Computational Biologist/Chemist Professor Lee-Wei Yang is dedicated to uncovering the physical principles that govern how biomolecules move, interact, and perform the essential functions of life. His work bridges the gap between theoretical biophysics and experimental biology, using a "spectrum of physics models" to turn static structural data into dynamic, functional insights. By integrating computational modeling with wet-lab validation (Prof Yang has a wet lab in NTHU), Yang's team creates a comprehensive picture of molecular behavior—from the way how a drug binds to its target to how ribosome unwinds RNA pseudoknot in SARS-CoV2 with both a scientific and therapeutic interest.
Professor Yang graduated from the Department of Chemical Engineering at National Taiwan University (1997), earned his master’s degree from the Department of Chemical Engineering at National Tsing Hua University (1999), and completed his Ph.D. at the University of Pittsburgh School of Medicine in 2005. After graduation, he joined the University of Tokyo, working as a JSPS researcher in Dr. Akio Kitao’s lab (2006-2009). He later moved to Harvard University’s Department of Chemistry and Chemical Biology, where he served as a postdoctoral researcher in Dr. Shakhnovich’s lab (2010-2011). Upon returning to Taiwan, Professor Yang joined the Institute of Bioinformatics and Structural Biology at National Tsing Hua University as an assistant professor in 2011, was promoted to associate professor in 2015, received the Wu Ta-You Memorial Award in 2017, and was promoted to professor in 2018. During his time at National Tsing Hua University, he also served as the head of the Global Affairs Office’s International Student Group (2016-2019) and the director of the Institute of Bioinformatics and Structural Biology (2021-2023) and the director of BAI PhD Program (2021-). Prof Yang’s full publication list - https://dyn.life.nthu.edu.tw/info.html
We utilize a diverse toolkit of physical models and algorithms to study conformational changes, biomolecular functions and signal communication; we also express proteins, purify them, culture cancer cells and develop biosensors in our wet lab.
Our goal is to translate theoretical physics into tangible biomedical solutions. My current research focus includes:
Drug Design: Developing small molecule therapeutics (anti-cancer and anti-autoimmune disease) and antimicrobial peptides (AMPs) and targeted anticancer drugs.
Disease Mechanisms: Investigating protease degradation and the regulation of autophagic flux to suppress tumor growth.
Enzymology: Reconciling the "lock-and-key" and "induced-fit" pathways to better understand substrate binding and enzyme function.
To ensure our theories hold weight in the real world, my lab maintains a robust experimental presence. We use high-precision biophysical techniques like optical tweezers, FRET, and fluorescence anisotropy, alongside traditional X-ray crystallography and NMR spectroscopy to validate our computational predictions in real-time.
Welcome to join your zest to explore unknowns with our dynamic research environment.
Recognitions in four categories:
1. Recent Career Distinctions & National Leadership (2017–Present)
In recent years, have been recognized as a top-tier innovator and researcher at the national level:
National Innovation Award (2022): Received in the Startup Category, highlighting his success in translating theoretical research into practical, entrepreneurial ventures.
Ta-You Wu Memorial Award (2017): This is one of Taiwan’s most prestigious honors for young investigators, recognizing his outstanding contributions to the field of biophysics.
APBA Outstanding Innovation Award (2025): Awarded for his significant technological contributions to the Asia-Pacific bioinformatics and biophysics community.
Distinguished Talent Chair (2025): Awarded the NTHU-Ching-Ching Outstanding Talent Lecture (清華-清鏡傑出人才講座).
2. International Collaboration & Computing (Japan-Taiwan Ties)
I maintain a strong research footprint in Japan, securing competitive funding and high-level resources:
HPCI Computational Resource Award (2019): Awarded 48,000 node-hours of supercomputing time in Japan for high-performance molecular simulations.
IPR International Collaboration Grant (2017): Funded research collaboration with the Institute for Protein Research at Osaka University.
JSPS Fellowship (2006–2009): A highly competitive fellowship from the Japan Society for the Promotion of Science for foreign researchers.
3. Institutional Recognition at NTHU
Since joining National Tsing Hua University, I have been consistently honored for both research and teaching:
Teaching Excellence: Multiple awards for Teaching Merit between 2012 and 2015.
Research Incentives: Recipient of the NTHU New Faculty Incentive and the Outstanding Academic Research Publication Award (2012).
Visiting Scholarship: Awarded the Academia Sinica Short-term Visiting Scholar subsidy (2019).
4. Early Career & Academic Foundations
My pursue of excellence began during my doctoral and undergraduate studies:
Scientific Achievement: Won the Stephen L. Phillips Scientific Achievement Award and the DCB Best Student Award in 2006.
Honor Societies: Inducted into the Phi Tau Phi Scholastic Honor Society (1999), an honor reserved for the top two students in each college.
Scholarships: Recipient of the CTCI Scholarship and specialized medical school scholarships for international training.
POSTGRADUATE:
Postdoctoral Fellow in Dr Shakhnovich's lab, Dept. of Chemistry and Chemical Biology, Harvard
University, Boston (2010- 2011)
Postdoctoral Scientist in Dr Chachisvilis's lab, La Jolla Bioeng. Inst, San Diego (2009-2010)
JSPS Researcher in Dr. Akio Kitao's lab, Inst. of Molecular and Cellular Bioscience., University of
Tokyo (2006- 2009)
Research Associate in Dr. Ivet Bahar's lab, Dept. of Computational Biology, School of Medicine,
University of Pittsburgh (2005- 2006)
GRADUATE:
Ph.D. in Molecular Genetics and Biochemistry (MGB), School of Medicine, University of Pittsburgh
(Sept.,2001-Jun.,2005); Dissertation title: Biomolecular dynamics revealed by elastic network models
and the study of mechanical key sites for ligand binding
M.S. in Chemical Engineering, National Tsing Hua University (NTHU), Taiwan, (1997-1999); Thesis
title: "Application of immobilized D-hydantoinase on ion exchanger"
UNDERGRADUATE:
B.S. in Chemical Engineering, National Taiwan University (NTU), Taiwan (1993-1997)
Job Description
We move beyond static "snapshots" of proteins. By utilizing Elastic Network Models (ENM) and Molecular Dynamics (MD), we simulate the "breathing" motions of proteins. This allows us to identify allosteric sites that remotely regulates the protein main functional sites —offering new target sites for drug design that traditional methods miss.
Preferred Intern Educational Level
This opportunity is ideal for ambitious undergraduate/graduate researchers who thrive at the intersection of computational rigor and biological discovery. We are looking for candidates with a strong foundation in quantitative sciences—such as Physics, Chemistry, Computer Science, or Engineering—who are eager to apply their analytical skills to the complexities of the life sciences.
Skill sets or Qualities
To excel in this role, candidates should possess a robust quantitative and computational toolkit paired with a deep curiosity for molecular architecture. Proficiency in high-level programming—specifically Python, C++, or R—is essential for developing bio-algorithms and managing large-scale genomic and/or structural genomic datasets.
Job Description
This includes:
Structural Comparison: Tools for ultra-fast comparison of protein structures.
Genomic Analysis: Advanced workflows for Next-Generation Sequencing (NGS) to pinpoint chromosomal abnormalities and disease markers.
Preferred Intern Educational Level
We are looking for candidates with a strong foundation in quantitative sciences—such as Physics, Chemistry, Computer Science, or Engineering—who are eager to apply their analytical skills to the complexities of the life sciences.
Skill sets or Qualities
Ideally candidates should possess a robust quantitative and computational toolkit paired with a deep curiosity for molecular architecture.