• 2017 - 2023, Ph.D. in Biochemistry and Molecular Biology, Rice University, United States
• 2017 - 2023, M.S. in Computer Science, Rice University, United States
• 2013 - 2017, B.S. in Life Sciences, Chu Kochen Honors College, Zhejiang University, China

 

Work Experience：

• 2026 - Present, Dual-Appointment Professor, Shenzhen Loop Area Institute, China
• 2026 - Present, Professor, College of Life Science and Technology, Jinan University, China
• 2023 - 2025, Data Scientist (Senior Manager Level), Gilead Sciences, San Francisco Bay Area, United States

AI Drug Discovery, Biomolecule Dynamic Simulation Algorithm, CAR-T Therapy Refinement, Clinical Trial Refinement, Complex Biological System World Model
1.AI-Driven Drug Discovery and Molecular Design
Focus on the intelligent design of protein, peptide, small-molecule modulators, and allosteric inhibitors. By integrating generative models, molecular dynamics simulations, and structural biology information, this research area aims to advance an integrated drug design pipeline—from target identification and binding-site discovery to candidate molecule optimization.
2. Modeling of Protein Structure and Functional Dynamics
Develop computational models that integrate physical principles with deep learning to elucidate protein folding, macromolecular interactions, and other fundamental questions. This research area provides a theoretical foundation for mechanistic studies of complex biological systems and for drug design.
3. Optimization of CAR‑T Cell Therapy for Solid Tumors
Addressing key challenges in CAR‑T therapy against solid tumors such as insufficient target specificity and tumor microenvironment suppression, this research area aims to build a multi‑agent and multi‑omics driven platform for systematic screening of therapeutic targets with enhanced therapeutic potential and clinical translatability.
4. AI‑Assisted Clinical Trials and Intelligent Experimental Infrastructure
By connecting algorithms, experimental platforms, and clinical data, this research area focuses on the application of AI in preclinical stages, clinical trial data analysis, complex biological system world model design and intelligent experimental systems. The goal is to drive AI models from computational prediction toward a verifiable, traceable, and translatable R&D closed loop.

shikaijin@slai.edu.cn

Dr. Shikai Jin earned his bachelor's from Zhejiang University's Chu Kochen Honors College and his Ph.D. specialized in computational biology from Rice University. From 2023 to 2025, he worked at Gilead Sciences, a leading virology-focused multinational firm in the SF Bay Area, focusing on AI-driven antibody development and clinical research. His work applies advanced AI models to macromolecular design and clinical challenges, utilizing molecular dynamics simulations and deep learning architectures CNNs and Transformers to study protein folding and structure-function relationships. His work appears in Nature Chemical Biology, Nature Communications, and PNAS. Before returning to China, he authored nearly 20 papers and received several national awards, including the Chinese Government Award for Outstanding Self-Financed Students Abroad and the Chunhui Cup Innovation Award.

1. Jin S, Bueno C, Lu W, Wang Q, Chen M, Chen X, Wolynes PG, Gao Y^*. Computationally exploring the mechanism of bacteriophage T7 helicase translocating along ssDNA. Proc Natl Acad Sci U S A. 2022; 119(32):e2202239119. doi: 10.1073/pnas.2202239119
2. Jin S^#, Chen M^#, Chen X^#, Bueno C, Lu W, Schafer NP, Lin X, Onuchic JN, Wolynes PG^*. Protein structure prediction in CASP13 using AWSEM-Suite. J Chem Theory Comput. 2020; 16(6):3977-3988. doi: 10.1021/acs.jctc.0c00188 (Cover Story)
3. Yang S^#, Jin S^#, Zhang M^#, Chen Y, Guo Y, Hu Y, Wolynes PG^*, Xiao H^*. Real-time imaging of protein microenvironment changes in cells with rotor-based fluorescent amino acids. Nat Chem Biol. 2026; 22(1): 97-108. doi: 10.1038/s41589-025-02003-1
4.  Chen X^#, Jin S^#, Chen M^#, Bueno C, Wolynes PG^*. The marionette mechanism of domain-domain communication in the antagonist, agonist and coactivator responses of the estrogen receptor. Proc Natl Acad Sci U S A. 2023; 120(6):e2216906120. doi: 10.1073/pnas.2216906120
5. Xu L^#, Jin S^#, Urem M, Chen X, Lee S-J, Lamers MH, Wolynes PG^*, Wuite GJL^*. DNA polymerase actively and sequentially displaces single-stranded DNA-binding proteins. Nat Commun. 2025; 16(1):7431. doi: 10.1038/s41467-025-62531-1

 

Research Awards：

1. 2025: The 20th 'Chunhui Cup' Oversea Students Innovation and Entrepreneurship Competition Outstanding Achievement, Ministry of Education, Sole Contributor.
2. 2021: Outstanding Self-Financed Foreign Student Award, China Scholarship Council, Sole Contributor.