Publication

Google Scholar: https://scholar.google.com/citations?user=TSQXdx8AAAAJ&hl=en

At UNT

41. Y. Han*, K.C. Rouen, V. Yarov-Yarovoy, C.E. Clancy, Y. Xiang, I. Vorobyov*, S.-H. Ahn*, Ligand Dissociation Pathways from Membrane Receptors Revealed by Weighted Ensemble Simulations (2025) [*corresponding author]. Invited Article. Published as part of The Journal of Physical Chemistry B special issue “At the Cutting Edge of Theoretical and Computational Biophysics”.  

Before UNT

40. Y. Han#*, J. R.D. Dawson#, K. R. DeMarco, S. Bekker, C. E. Clancy, V. Yarov-Yarovoy*, I. Vorobyov*, Modeling Stereospecific Drug Interactions with Beta-Adrenergic Receptor, submitted (2025) [*corresponding author, #contributed equally]

39. Y. Han*, J. R. D. Dawson, K. R. DeMarco, K. C. Rouen, S. Bekker, V. Yarov-Yarovoy, C. E. Clancy, Y. K. Xiang, S.-H. Ahn*, I. V. Vorobyov*, Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein, iScience 111741 (2025) [*corresponding author]

38. R.L Woltz, Y. Zheng, W. Choi, K. Ngo, P. Trinh, L. Ren, P.N. Thai, B.J. Harris, Y. Han, K.C. Rouen, D.L. Mateos, Z. Jian, Y. Chen-Izu, E.J. Dickson, E.N. Yamoah, V. Yarov-Yarovoy, I. Vorobyov, X.D. Zhang, N. Chiamvimonvat. Atomistic mechanisms of the regulation of small-conductance Ca2+-activated K+ channel (SK2) by PIP2. The Proceedings of the National Academy of Sciences (PNAS) 2024 Sep 24;121(39):e2318900121.

37. K. Ngo#, D. L. Mateos#, Y. Han, K. C. Rouen, S.-H. Ahn, H. Wulff, C. E. Clancy, V. Yarov-Yarovoy, I. Vorobyov, Binding mechanisms of the tarantula venom ProTx-II to the human NaV1.7 channel, Journal of General Physiology, 156, 2 (2024).

36. P. Král, H. Chan, L. Vuković, S. Raj, S. Sen, Y. Han, Michal Sawczyk, Simulation Methods for Self-Assembling Nanoparticles, Progress in Materials Science, 101225 (2023).

35. P.-C. Yang, A. Rose, K.R. DeMarco, J.R.D. Dawson, Y. Han, M.-T. Jeng, R.D. Harvey, L.F. Santana, C.M. Ripplinger, I. Vorobyov, T.J. Lewis, C.E. Clancy, A multiscale predictive digital twin for neurocardiac modulation. J Physiol, 601, 3789 (2023).

34. Y. Han, J. R. D. Dawson, K. R. DeMarco, K. C. Rouen, S. Bekker, V. Yarov-Yarovoy, C. E. Clancy, Y. K. Xiang, I. V. Vorobyov, Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist and stimulatory G protein, The Proceedings of the National Academy of Sciences (PNAS). 120 (10), e2215916120 (2023).

33. W.-j. Jeong, J. Bu, P. Mickel, Y. Han, P. A. Rawding, J. Wang, H. Kang, H. Hong, P. Král, and S. Hong, Dendrimer-Peptide Conjugates for Effective Blockade of the Interactions between SARS-CoV-2 Spike Protein and Human ACE2 Receptor, Biomacromol. 24 (1), 141 (2023).

32. X. Tan, J. Zhong, C. Fu, H. Dang, Y. Han, P. Král, J. Guo, Z. Yuan, H. Peng, C. Zhang, and A. K. Whittaker, Amphiphilic Perfluoropolyether Copolymers for the Effective Removal of Polyfluoroalkyl Substances from Aqueous Environments, Macromol. 54, 3447 (2021).

31. A. Paul, J. Huang, Y. Han, X. Yang, L. Vuković, P. Král, L. Zheng, and A. Herrmann, Photochemical control of bacterial gene expression based on trans encoded genetic switches, Chem. Sci. 12, 2646 (2021).