CV

Education

• Ph.D. in Computer Science, Aalto University, Finland
  2026 - 2029 (expected)

  Research focus: AI-driven computational biology and molecular design

• M.S. in Biology, ShanghaiTech University, China
  2023 - 2026

  GPA: 3.93/4.0 (Major GPA: 3.95/4.0)

• B.S. in Pharmacy (Basic Pharmacy), China Pharmaceutical University, China
  2019 - 2023

  GPA: 3.96/4.0 (Top 3% in major)

Research Interests

• Artificial intelligence and machine learning for biological applications
• Generative models for molecular and peptide design
• Structure-based modeling and prediction of biomolecular interactions

Research Experience

AI-Driven De Novo Design of Peptides Targeting NK2R
ShanghaiTech University | Aug 2025 - Dec 2025

• Performed peptide sequence generation and preliminary screening using BindCraft.
• Optimized candidate sequences using random forest models with ESMC embeddings.
• Designed candidate peptides with predicted ipTM scores above 0.9 in NK2R complexes.

Construction of a GPCR-Ligand Structural Dataset and Its Application
ShanghaiTech University | Dec 2024 - Present

• Constructed a GPCR-ligand complex structural dataset using template-based modeling and AlphaFold3.
• Developed deep learning models to improve virtual screening performance for GPCR targets.
• Investigated computational approaches for understanding ligand regulation mechanisms.

Identification and Characterization of Activation Features in OR5AN1
ShanghaiTech University | Dec 2024 - Oct 2025

• Analyzed residue-residue contact patterns to identify activation features in olfactory receptors.
• Developed structure-based molecular representations for odorant recognition analysis.

Decoding Ligand Selectivity in Insect Olfactory Receptors
ShanghaiTech University | Nov 2023 - Feb 2024

• Applied Bayesian Gaussian mixture models and hidden Markov models to analyze receptor sequence and ligand selectivity.
• Identified receptor classes and potential residues responsible for ligand recognition.

Computational Investigation of Structural Components from Moutan Cortex in Acute Lung Injury Treatment
China Pharmaceutical University | Dec 2022 - Aug 2023

• Developed a computational framework integrating target prediction, molecular docking, network analysis, UMAP, and enrichment analysis.
• Validated computational predictions through biological experiments.

Publications

• Structural decoding of reversible covalent linkage of odorants in human olfactory receptor OR6A2
  Tian Wang, Yiran Wu, Ling Wang, Shanshan Li, Fei Zhao, Lijie Wu, Yue Liu, Jingzi Qin, Qiwen Tan, Junlin Liu, Liting Zeng, Yilin Chen, et al.
  Cell , 2026

Talks & Presentations

• AlphaFold3 Workshop
  Invited Speaker · iHuman Institute, ShanghaiTech University · Jan 2025

Honors & Awards

• Outstanding Graduate
  ShanghaiTech University · 2026
• Outstanding Student Leader
  ShanghaiTech University · 2026
• National Scholarship
  Ministry of Education of China · 2024
• Merit Student
  ShanghaiTech University · 2024
• Awards in International Directed Evolution Competition (IDEC)
  International Directed Evolution Competition (IDEC) · 2023
• Second Prize, Chinese College Students' Life Science Competition
  Chinese College Students' Life Science Competition · 2023
• Outstanding Team Award, Ultimate 72-hour Innovation Challenge for Global Young Talents
  Ultimate 72-hour Innovation Challenge for Global Young Talents · 2023
• Outstanding Graduate
  China Pharmaceutical University · 2022

Teaching Experience

Teaching Assistant, Computational Biology
ShanghaiTech University
Feb 2024 – Jun 2024

• Developed teaching materials and solutions for sequence analysis, profile HMMs, SSN/GNN construction, and phylogenetic modeling.
• Mentored undergraduate students in Linux and computational biology workflows.

Leadership & Service

Vice Director, Academic Development Division
Student Affairs Committee, School of Life Science and Technology, ShanghaiTech University

• Organized first-author forums with principal investigators and researchers.
• Co-organized academic salon events with institutions including the Chinese Society for Cell Biology.

Rotating Chair
Student Leadership Board, iHuman Institute, ShanghaiTech University

• Coordinated student academic activities and facilitated communication between students and faculty members.

Skills

Programming & Machine Learning

• Python, PyTorch, scikit-learn, MATLAB, R
• Shell scripting, Git, Markdown, LaTeX

Computational Biology & Chemistry

• AlphaFold3, RDKit, Open Babel
• GROMACS, VMD, Gaussian
• Schrödinger Suite, ChemOffice, PySCF

High-Performance Computing

• LSF, SLURM
• Docker, Apptainer, Dask

Languages

• English (TOEFL: 95)
• Chinese (Native)