Undergraduate · Pharmaceutical Sciences

HU Ziheng

Computational drug design × wet-lab protein engineering

BSc (Hons) student at Xi'an Jiaotong-Liverpool University, learning to work across both sides of drug discovery — running simulations and screens at the desk, cloning and characterising proteins at the bench.

Programme
BSc (Hons) Pharmaceutical Sciences
Dual degree
With University of Liverpool
Institution
Academy of Life and Natural Sciences, XJTLU
Period · Location
Sep 2023 – Jul 2027 · Suzhou, China
Portrait of HU Ziheng
01 · About

Simulation and experiments.

An undergraduate in pharmaceutical sciences, still early in training — and learning on both the computational and the experimental side.

I'm an undergraduate student in pharmaceutical sciences at Xi'an Jiaotong-Liverpool University. 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 contributed to a paper under review at the Journal of Chemical Information and Modeling.

After a Summer Undergraduate Research Fellowship (SURF) with the XJTLU Peptide and Drug Research Group (XPad), I'm now a Final Year Project student there, working on encapsulin nanoparticles for intracellular protein delivery and learning the wet-lab pipeline from cloning to cell-based assays.

BSc (Hons) Pharmaceutical Sciences

Academy of Life and Natural Sciences · Xi'an Jiaotong-Liverpool University

Dual degree: XJTLU & University of Liverpool

Sep 2023 – Jul 2027 Suzhou, China
74%Overall average
68→78%Year trend, rising
Selected coursework Chemistry for Pharmacy (92%) · Drug Action (85%) · Advanced Chemistry for Pharmacy (82%) · Pharmaceutical Analysis (82%) · Intro to Physiology & Pharmacology (82%) · Principles of Pharmacology (79%)

The Academy of Life and Natural Sciences was formed in September 2026 through the merger of XJTLU's School of Science and Wisdom Lake Academy of Pharmacy.

02 · Research Interests

Four questions I'm exploring.

01

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.

02

Computational Drug Design

Molecular dynamics, free energy calculations, and virtual screening. I'm learning to use these tools to ask better questions.

03

Between Computation & Experiment

Moving between in silico predictions and wet-lab results. This is the part I enjoy most.

04

Allosteric Regulation & Dynamics

How conformational dynamics shape protein function, and whether transient states might be worth targeting. I'm only beginning to explore this.

03 · Research Experience

From dry lab to wet lab.

Blue marks computational work, pink marks bench work — the same two threads the whole page is built on.

Undergraduate Researcher — Computer-Aided Drug Design

Apr 2025 – Jul 2026 · ~1 yr 3 mo

Dry Lab AI Therapeutics & Molecular Simulation Lab (ATOMs Lab) · XJTLU, Suzhou · Advisor: Dr. Sijin Wu

  • 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 a paper under review at the Journal of Chemical Information and Modeling.

Summer Undergraduate Research Fellow (SURF) — Protein Engineering

Jun 2026 – Aug 2026

Wet Lab XJTLU Peptide and Drug Research Group (XPad) · XJTLU, Suzhou · Advisors: Dr. Shining Loo & Dr. Antony Kam

  • 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.

Final Year Project — Protein Nanoparticle Engineering

Aug 2026 – Present

Wet Lab XJTLU Peptide and Drug Research Group (XPad) · XJTLU, Suzhou · Advisors: Dr. Shining Loo & Dr. Antony Kam

  • 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.
04 · Publications

A small set of early contributions.

One paper under review and one conference poster, with more work in progress.

[1] Journal Article Under Review

Computational Exploration of ActRII-Coupled Conformational Dynamics during Myostatin Activation

Peirun Yang, Ziheng Hu, Panxi Xu, Xinyu He, Jiaxuan Wu, Xiaotian Kong, Bin Guo, Daiyun Huang, Chun Chan *, Jun Yang *, Sijin Wu *

Journal of Chemical Information and Modeling, 2026

[1] Conference Poster

Mechanism of Action and Rational Design of Small-Molecule Inhibitors Targeting Myostatin

Ziheng Hu, Peirun Yang, Sijin Wu *

The 35th CCS Congress · Chinese Chemical Society · Chongqing · April 11–14, 2026
Session 26: Quantum and Classical Dynamics · Poster No. 26-P-022

05 · Skills & Tools

Methods and software.

What I've been using across both dry- and wet-lab work.

Computational

Molecular Dynamics Virtual Screening Molecular Docking Structure-Based Drug Design Binding Free Energy Protein–Ligand Interactions

Experimental

Molecular Cloning Protein Expression Affinity Chromatography Size-Exclusion Chromatography Binding Assays SDS-PAGE Western Blot

Software

Python PyMol AutoDock GROMACS Schrödinger Suite AlphaFold2 RoseTTAFold

Languages

Chinese · Native English · Academic

IELTS in progress.

06 · Honours & Awards

Selected recognition.

2026

Summer Undergraduate Research Fellowship (SURF)

Xi'an Jiaotong-Liverpool University · Summer 2026

View certificate
2026

Dean's List, Academic Year 2025–2026

Wisdom Lake Academy of Pharmacy, XJTLU · Top 10% by academic performance

View official list
2025

Dean's List, Academic Year 2024–2025

Wisdom Lake Academy of Pharmacy, XJTLU · Top 10% by academic performance

View official list
07 · Contact

Get in touch.