Jin Yu
Biography
Jin Yu, Ph.D., is Assistant Professor in the Department of Physics and Astronomy, the NSF-Simons Center of Multiscale Cell Fate Research, and the Department of Chemistry at the University of California, Irvine. Yu studies the molecular mechanisms of gene transcription and replication through computational modeling and molecular dynamics simulations, focusing on how polymerase enzymes move along DNA and RNA, select nucleotides with high fidelity, and respond to mechanical forces. Her work combines atomistic simulations with kinetic modeling to reveal the physical principles governing protein-DNA interactions, from transcription factor search dynamics to viral RNA polymerase function.
Yu has published over 60 peer-reviewed articles examining molecular machines involved in genetic processes. Her research has addressed nucleotide selectivity in viral RNA polymerases including SARS-CoV-2, stepping mechanisms of transcription factors along DNA, and fidelity control in T7 RNA polymerase. She has also investigated DNA supercoiling dynamics, helicase unwinding mechanisms, and the mechanochemistry of viral DNA packaging motors. Her computational approaches span multiple scales, from quantum mechanical and atomic calculations to coarse-grained diffusion models.
Before joining UC Irvine in 2019, Yu served as Principal Investigator in the Complex System Research Division at Beijing Computational Science Research Center from 2012 to 2019. She completed postdoctoral training with George Oster in Molecular and Cellular Biology and with the Bustamante laboratory in the Physics Department at the University of California, Berkeley from 2007 to 2011. Yu received her Ph.D. in Physics from the University of Illinois at Urbana-Champaign in 2007 under the supervision of Klaus Schulten.
Return to topEducation
- Ph.D. in Physics, University of Illinois at Urbana-Champaign, 2007
- M.S. in Finance, University of Illinois at Urbana-Champaign, 2007
- M.S. in Physics, Tsinghua University, 2001
- B.S. in Physics, Tsinghua University, 1998
Distinctions
- US Biophysical Society Early Career Committee member, 2018-2021
- Excellent Graduate Advisor Award, Beijing CSRC, Chinese Academy of Engineering Physics, 2019
- Chinese Biophysical Society Single-molecule Biophysics Committee member, 2015-2018
- Keystone Symposia Future of Science Fund Scholarship, 2010-2011
- Biophysical Society Annual Meeting CPOW Travel Award, 2010-2011
- UC Berkeley Chancellor's Postdoctoral Fellowship, 2007-2010
- Clare Boothe Luce Fellowship, 2007-2010
- Guanghua Scholarship of Tsinghua University, 2000
Areas of Expertise
- Computational Biophysics
- Transcription Factor DNA Recognition
- RNA Polymerase Fidelity Control
- Molecular Motor Mechanochemistry
- Protein Target Search Diffusion
- SARS-CoV-2 Viral Replication
- Machine Learning Binding Prediction
Recent Publications
- Carmen Al Masri, Jin Yu, “Energetic and Structural Dynamic Drivers of Transcription Factors MycMax, Omomyc homodimer, and MaxMax Recognition on DNA” (opens in new tab), Physical Chemistry Chemical Physics, vol. 27, pp. 26107-26118, 2025.
- Carmen Al Masri, Jin Yu, “Combining Physics-Based Protein–DNA Energetics with Machine Learning to Predict Interpretable Transcription Factor-DNA Binding” (opens in new tab), Journal of Chemical Information and Modeling, vol. 65, no. 21, pp. 11804–11817, 2025.
- Shannon McElhenney, Jin Yu, “Collective Variables and Facilitated Conformational Opening during Translocation of Human Mitochondrial RNA Polymerase (POLRMT) from Atomic Simulations” (opens in new tab), Journal of Chemical Theory and Computation, vol. 21, no. 9, pp. 4815–4829, 2025.
- Carmen Al Masri, Jonah Z. Vilseck, Jin Yu, Ryan L. Hayes, “Multisite λ Dynamics for Protein-DNA Binding Affinity Prediction” (opens in new tab), Journal of Chemical Theory and Computation, vol. 21, no. 7, pp. 3536–3544, 2025.
- Biao Wan, Jin Yu, “Protein target search diffusion-association/dissociation free energy landscape around DNA binding site with flanking sequences” (opens in new tab), Biophysical Journal, vol. 124, no. 4, pp. 677-692, 2025.
- Chunhong Long, Chuanbo Zheng, Hongqiong Liang, Liqiang Dai, Jin Yu, “Dissecting the CRISPR Cas1-Cas2 Protospacer Binding and Selection Mechanism by Using Molecular Dynamics Simulations” (opens in new tab), Journal of Physical Chemistry B, vol. 128, no. 15, pp. 3563–3574, 2024.
- Jianfang Chen, Yuanpeng Song, Luhan Ma, Yizhou Jin, Jin Yu, Yanzhi Guo, Yan Huang, Xuemei Pu, “Computational insights into diverse binding modes of the allosteric modulator and their regulation on dopamine D1 receptor” (opens in new tab), Computers in Biology and Medicine, vol. 173, pp. 108283, 2024.
- Moises E Romero, Shannon J McElhenney, Jin Yu, “Trapping non-cognate nucleotide upon initial binding for replication fidelity control in SARS-CoV-2 RNA dependent RNA polymerase” (opens in new tab), Physical Chemistry Chemical Physics, vol. 26, pp. 1792-1808, 2024.
- Carmen Al Masri, Biao Wan, Jin Yu, “Non-specific vs specific DNA binding free energetics of a transcription factor domain protein for target search and recognition” (opens in new tab), Biophysical Journal, vol. 122, pp. 4476-4487, 2023.
- Jin Yu, “Commentary: On the common pathways of deformation: RNA vs DNA under interrogation” (opens in new tab), Proceedings of the National Academy of Sciences of the United States of America, vol. 120, no. 23, pp. e2306453120, 2023.
- Chunhong Long, Moises Ernesto Romero, Liqiang Dai, Jin Yu, “Energetic vs entropic stabilization between Remdesivir analogue and cognate ATP upon binding and insertion into active site of SARS-CoV-2 RNA dependent RNA polymerase” (opens in new tab), Physical Chemistry Chemical Physics, vol. 25, pp. 13508, 2023.
- Lingyan Wang, Kaiyuan Song, Jin Yu, Lin-Tai Da, “Computational investigations on target-site searching and recognition mechanisms by thymine DNA glycosylase during DNA repair process” (opens in new tab), Acta Biochimica et Biophysica Sinica, vol. 54, pp. 796-806, 2022.
- Chuan Li, Jin Yu, Qiaolin Gou, Yanzhi Guo, Xuemei Pu, “An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors” (opens in new tab), Journal of Chemical Information and Modeling, vol. 62, no. 6, pp. 1399–1410, 2022.
- Chao E, Liqiang Dai, Jiaqi Tian, Lin-Tai Da, Jin Yu, “Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion” (opens in new tab), Journal of Visualized Experiments, vol. 2022, no. 181, pp. e63406, 2022.
- Chao E, Liqiang Dai, Jin Yu, “Switching Promotor Recognition of Phage RNA Polymerase in Silico Following Path along Lab Directed Evolution” (opens in new tab), Biophysical Journal, vol. 121, pp. 582-595, 2022.
- Biao Wan, Jin Yu, “Two-Phase Dynamics of DNA Supercoiling based on DNA Polymer Physics” (opens in new tab), Biophysical Journal, vol. 121, pp. 658-669, 2022.
- Jianbing Ma, Jin Yu, Xuguang Xi, Ying Lu, Ming Li, “RQC helical hairpin in Bloom's syndrome helicase regulates DNA unwinding by dynamically intercepting nascent nucleotides” (opens in new tab), iScience, vol. 25, no. 1, pp. 103606, 2022.
- Chen X., Yuan Y., Chen Y., Yu J., Wang J., Chen J., Guo Y., Pu X., “Biased Activation Mechanism Induced by GPCR Heterodimerization: Observations from μoR/δOR Dimers” (opens in new tab), Journal of Chemical Information and Modeling, vol. 62, pp. 5581-5600, 2022.
Most Cited Publications
- Jin Yu, Andrea J. Yool, Klaus Schulten, Emad Tajkhorshid, “Mechanism of gating and ion conductivity of a possible tetrameric pore in Aquaporin-1” (opens in new tab), Structure, vol. 14, pp. 1411-1423, 2006.
- Shuxun Cui, Jin Yu, Ferdinand Kühner, Klaus Schulten, Hermann E. Gaub, “Double stranded DNA dissociates into single strands when dragged into a poor solvent” (opens in new tab), Journal of the American Chemical Society, vol. 129, pp. 14710-14716, 2007.
- Jin Yu, Jeff Moffitt, Craig Hetherington, Carlos Bustamante, George Oster, “Mechanochemistry of a viral DNA packaging motor” (opens in new tab), Journal of Molecular Biology, vol. 400, pp. 186-203, 2010.
- Chenggong Ji, Shuo Du, Peng Li, Qinyu Zhu, Xiaoke Yang, Chunhong Long, Jin Yu, Feng Shao, Junyu Xiao, “Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8” (opens in new tab), PLOS Pathogens, vol. 15, no. 6, pp. e1007876, 2019.
- Jin Yu, Taekjip Ha, Klaus Schulten, “Structure-based model of the stepping motor of PcrA helicase” (opens in new tab), Biophysical Journal, vol. 91, pp. 2097-2114, 2006.
- Lin-Tai Da, Chao E, Baogen Duan, Chuanbiao Zhang, Xin Zhou, Jin Yu, “A jump-from-cavity pyrophosphate ion release assisted by a key lysine residue in T7 RNA polymerase transcription elongation” (opens in new tab), PLoS Computational Biology, vol. 11, no. 11, pp. e1004624, 2015.
- Liqiang Dai, Yongping Xu, Zhenwei Du, Xiao-dong Su, Jin Yu, “Revealing Atomic-scale Molecular Diffusion of a Plant Transcription Factor WRKY domain protein along DNA” (opens in new tab), Proceedings of the National Academy of Sciences of the United States of America, vol. 118, no. 23, pp. e2102621118, 2021.
- Lin-Tai Da, Jin Yu, “Base-Flipping Dynamics from an Intrahelical to an Extrahelical State Exerted by Thymine DNA Glycosylase During DNA Repair Process” (opens in new tab), Nucleic Acids Research, vol. 46, no. 11, pp. 5410-5424, 2018.
- Lin-Tai Da, Chao E, Yao Shuai, Shaogui Wu, Xiao-Dong Su, Jin Yu, “T7 RNA polymerase translocation is facilitated by helix opening on the fingers domain that may also prevent backtracking” (opens in new tab), Nucleic Acids Research, vol. 45, no. 13, pp. 7909-7921, 2017.
- Jin Yu, Taekjip Ha, Klaus Schulten, “Conformational model of the Holliday junction transition deduced from molecular dynamics simulations” (opens in new tab), Nucleic Acids Research, vol. 32, pp. 6683-6695, 2004.
Contact Information
Website: https://www.physics.uci.edu/jin-yu
Email: jin.yu@uci.edu
Address: 210K Rowland Hall
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Last updated on 6/8/2026.