K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Nav Channels. - Van Ngo; Yibo Wang 011; Stephan Haas; Sergei Yu Noskov; Robert A. Farley (PLoS Comput. Biol., 2016)

Dissecting the Innate Immune Recognition of Opioid Inactive Isomer (+)-Naltrexone Derived Toll-like Receptor 4 (TLR4) Antagonists. - Xiaozheng Zhang 004; Fengchao Cui; Hongqian Chen; Tianshu Zhang; Kecheng Yang 005; Yibo Wang 011; Zhenyan Jiang; Kenner C. Rice; Linda R. Watkins; Mark R. Hutchinson; Yunqi Li 001; Yinghua Peng; et al. (J. Chem. Inf. Model., 2018)

Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis. - Xiaohu Hu; Yibo Wang 011; Amanda Hunkele; Davide Provasi; Gavril W. Pasternak; Marta Filizola (PLoS Comput. Biol., 2019)

Exploring Methamphetamine Nonenantioselectively Targeting Toll-like Receptor 4/Myeloid Differentiation Protein 2 by in Silico Simulations and Wet-Lab Techniques. - Xiaozheng Zhang 004; Yibo Wang 011; Hongshuang Wang; Hongyuan Li; Tianshu Zhang; Yinghua Peng; Xiaohui Wang 005 (J. Chem. Inf. Model., 2020)

Dissecting the Role of N-Glycan at N413 in Toll-like Receptor 3 via Molecular Dynamics Simulations. - Yibo Wang 011; Siru Wu; Cong Zhang; Yushan Jin; Xiaohui Wang 005 (J. Chem. Inf. Model., 2022)

Dissecting the Role of the Hydroxyl Moiety at C14 in (+)-Opioid-Based TLR4 Antagonists via Wet-Lab Experiments and Molecular Dynamics Simulations. - Jingwei Gao; Cong Zhang; Hangyu Xu; Tianshu Zhang; Hongshuang Wang; Yibo Wang 011; Xiaohui Wang 005 (J. Chem. Inf. Model., 2024)

Nicotine Enantioselectively Targets Myeloid Differentiation Protein 2 and Inhibits the Toll-like Receptor 4 Signaling. - Pu Jiang; Cong Zhang; Hongshuang Wang; Penghui Li; Xiubo Du; Yibo Wang 011; Ekaterina Lyukmanova; Cong Lin; Xiaohui Wang 005 (J. Chem. Inf. Model., 2024)