Ryu Lab

publications

  • Design, synthesis and profiling of highly potent antivirals targeting emerging drug resistant HIV-1 variants
    Nicolas Jamey, D.M. Nirosh Udayanga, Huanchun Zhang, Shreya M. Ravichandran, Xinyong Cai, Zachary C. Lorson, William M. McFadden, Won Hee Ryu, Roshan Katekar, Jiashu Xie, Karen A. Kirby, Stefan G. Sarafianos, and Zhengqiang Wang
    Under review at Angew. Chem., biorxiv.org/content/10.64898/2025.12.29.696941v1
  • Reducing Weighted Ensemble Variance with Optimal Trajectory Management
    Won Hee Ryu, John D. Russo, Mats S. Johnson, Jeremy T. Copperman, Jeffrey P. Thompson, David N. LeBard, Robert J. Webber, Gideon Simpson, David Aristoff, and Daniel M. Zuckerman
    Published in the Journal of Chemical Physics, 2026, doi.org/10.1063/5.0311015
  • 1-Hydroxy-1,8-napthyridnone (DHN) Analogues as Potential Monkeypox Resolvase Inhibitor
    Samuel Offei, Jacob P. Mahoney, Zhiyue Wang, Anil Pant, Won Hee Ryu, Zhilong Yang, and Zhengqiang Wang
    Published in the Journal of Medicinal Chemistry, 2025, doi/10.1021/acs.jmedchem.5c03356
  • Discovery of Small-Molecule Orthopoxvirus Resolvase Inhibitors with Antiviral Activity
    Jacob P. Mahoney, Samuel Offei, Anil Pant, Ziyue Wang, Benjamin Weiner, Lulu Yin, Won Hee Ryu, Roshan Katekar, Jessica M. Williams, Hideki Aihara, Zhilong Yang, and Zhengqiang Wang
    Published in the Journal of Medicinal Chemistry, 2025, doi.org/10.1021/acs.jmedchem.5c00019
  • Design of facilitated dissociation enables timing of cytokine signalling
    Adam J. Broerman, Christoph Pollmann, Yang Zhao, Mauriz A. Lichtenstein, Mark D. Jackson, Maxx H. Tessmer, Won Hee Ryu, Masato Ogishi, Mohamad H. Abedi, Danny D. Sahtoe, Aza Allen, Alex Kang, Joshmyn De La Cruz, Evans Brackenbrough, Banumathi Sankaran, Asim K. Bera, Daniel M. Zuckerman, Stefan Stoll, K. Christopher Garcia, Florian Praetorius, Jacob Piehler, and David Baker 
    Published in Nature, 2025, doi.org/10.1038/s41586-025-09549-z
  • Coarse-graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-matching
    Won Hee Ryu and Gregory Voth
    Published in Journal of Physical Chemistry A, 2022, doi/10.1021/acs.jpca.2c04349
  • Coarse-graining of many-body path integrals: Theory and numerical approximations
    Won Hee Ryu, Yining Han, and Gregory A. Voth
    Published in Jounal of Chemical Physics, 2019, doi.org/10.1063/1.5097141