Protein Therapeutics Design
Engineered binding proteins (affibody/nanobody) and protein nanoparticles, moving from computational design toward wet-lab testing. I'm still learning the full cycle.
BSc (Hons) Pharmaceutical Sciences
HU Ziheng
An undergraduate researcher learning to work across computational drug design and wet-lab protein engineering.
About
Computation and the bench.
An undergraduate trying to build familiarity with both sides of pharmaceutical science: dry-lab simulation and wet-lab experimentation.
I'm an undergraduate student in pharmaceutical sciences at Xi'an Jiaotong-Liverpool University (XJTLU). My interests are computational drug design and protein engineering, though I'm still early in my training and learning in both.
In the AI Therapeutics & Molecular Simulation Lab (ATOMs Lab), I worked on small-molecule inhibitors targeting myostatin (MSTN), running virtual screening, molecular docking, and binding free energy analysis. This work led to a co-first author paper accepted by the Journal of Chemical Information and Modeling.
As a Summer Undergraduate Research Fellowship (SURF) researcher and now Final Year Project student with the XJTLU Peptide and Drug Research Group (XPad), I'm re-engineering encapsulin nanoparticles for modular, dual-functionalised intracellular protein delivery, learning the wet-lab pipeline from cloning to cell-based assays.
Education
BSc (Hons) Pharmaceutical Sciences
Academy of Life and Natural Sciences (AoLNS) · Xi'an Jiaotong-Liverpool University
First Class Honours
Overall: 74% · Trend: 68% → 76% → 78%
Selected Coursework
Chemistry for Pharmacy (92%) · Drug Action (85%) · Advanced Chemistry for Pharmacy (82%) · Pharmaceutical Analysis (82%) · Introduction to Physiology & Pharmacology (82%) · Principles of Pharmacology (79%)
Research Interests
Four directions I'm exploring.
The questions I find most interesting fall between computation and experiment.
Computational Drug Design
Molecular dynamics, free energy calculations, and virtual screening. I'm learning to use these tools to ask better questions.
Between Computation & Experiment
Moving between in silico predictions and wet-lab results. This is the part of research I find most rewarding.
Allosteric Regulation & Dynamics
How conformational dynamics shape protein function, and whether transient states might be worth targeting. I'm only beginning to explore this.
Computation and experiment
are most useful together.
Most of the interesting questions in drug discovery seem to sit somewhere in between the two.
Research Experience
Two labs, two approaches.
Time in both a computational lab and a wet-lab team, learning how each side works and where they connect.
Apr 2025 – Jul 2026
~1 year 3 months
~1 year 3 months
Undergraduate Researcher — Computer-Aided Drug Design Dry Lab
AI Therapeutics & Molecular Simulation Lab (ATOMs Lab) · Xi'an Jiaotong-Liverpool University, Suzhou
- Worked on small-molecule inhibitors targeting myostatin (MSTN) using structure-based drug design and molecular dynamics simulations.
- Ran virtual screening and molecular docking to identify candidate compounds.
- Performed binding free energy analysis and protein–ligand stability assessment to help prioritise lead compounds.
- Co-authored paper (co-first author) accepted by the Journal of Chemical Information and Modeling.
Jun 2026
– Aug 2026
– Aug 2026
Summer Undergraduate Research Fellowship — Protein Engineering Wet Lab
XJTLU Peptide and Drug Research Group (XPad) · Xi'an Jiaotong-Liverpool University, Suzhou
- Learning the wet-lab pipeline for protein engineering: cloning, expression, IMAC purification, and buffer exchange.
- Produced recombinant proteins in bacterial systems and performed QC for downstream nanoparticle assembly.
- Gained hands-on experience with protein characterisation techniques.
Aug 2026
– Present
– Present
Final Year Project — Protein Nanoparticle Engineering Wet Lab
XJTLU Peptide and Drug Research Group (XPad) · Xi'an Jiaotong-Liverpool University, Suzhou
- Re-engineering protease-driven encapsulin nanoparticles with dual orthogonal conjugation handles (Sortase A and SnoopLigase) for modular intracellular protein delivery.
- Assembling cargo-loaded nanoparticles via TEV protease-triggered self-assembly, followed by surface functionalisation with affibody ligands and small-molecule labels.
- Characterising particles by DLS, TEM, blue native gel, and HPLC-SEC; evaluating HER2-dependent cell penetration in HER2⁺ vs HER2⁻ cell lines.
Academic Output
Publications & Presentations.
A small set of early contributions, with more work in progress.
Computational Exploration of ActRII-Coupled Conformational Dynamics during Myostatin Activation
Conference Presentations
Mechanism of Action and Rational Design of Small-Molecule Inhibitors Targeting Myostatin
Ziheng Hu, Peirun Yang, Sijin Wu*
Skills & Tools
Methods and software.
What I've been using across both dry- and wet-lab work.
Computational
Experimental
Software
Languages
Honours & Awards
Selected recognition.
First Class Honours (on track)
Xi'an Jiaotong-Liverpool University · Expected Jul 2027
Summer Undergraduate Research Fellowship (SURF)
Xi'an Jiaotong-Liverpool University · Summer 2026
Dean's List, Academic Year 2025–2026
Wisdom Lake Academy of Pharmacy, Xi'an Jiaotong-Liverpool University · Top 10% by academic performance · View official list
Dean's List, Academic Year 2024–2025
Wisdom Lake Academy of Pharmacy, Xi'an Jiaotong-Liverpool University · Top 10% by academic performance · View official list
Contact
Always happy to
talk about research.
If you share an interest in protein design or computational drug discovery, feel free to reach out.
ORCID: 0009-0005-9190-069X
Dr. Sijin Wu · Associate Researcher, Assistant Professor · AI Therapeutics & Molecular Simulation Lab (ATOMs Lab), Academy of Life and Natural Sciences, Xi'an Jiaotong-Liverpool University
Dr. Shining Loo · Assistant Professor · XJTLU Peptide and Drug Research Group (XPad), Academy of Life and Natural Sciences, Xi'an Jiaotong-Liverpool University
Dr. Andony Kam · Assistant Professor · XJTLU Peptide and Drug Research Group (XPad), Academy of Life and Natural Sciences, Xi'an Jiaotong-Liverpool University