publications

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
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
Under review, Journal of Chemical Physics, 2025, arxiv.org/abs/2504.21663
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