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Biophysical Journal|March 20, 2026
Prediction Accuracy of Ligand Binding KineticsFu Xiao, Yinglong MiaoThe Journal of Chemical Physics|August 24, 2018
Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamicsYinglong MiaoThe Journal of Chemical Physics|September 1, 2006
All-atom multiscaling and new ensembles for dynamical nanoparticlesYinglong Miao, Peter OrtolevaThe Journal of Physical Chemistry. B|December 22, 2025
Mechanism of Tethered Agonist Binding to an Adhesion G-Protein-Coupled ReceptorKeya Joshi, Yinglong MiaoBiorxiv : the Preprint Server for Biology|May 20, 2024
Ligand Gaussian accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible PeptidesJinan Wang, Yinglong MiaoExpert Opinion on Drug Discovery|October 30, 2018
Gaussian accelerated molecular dynamics for elucidation of drug pathwaysApurba Bhattarai, Yinglong MiaoBiophysical Journal|September 28, 2011
Active-site hydration and water diffusion in cytochrome P450cam: a highly dynamic processYinglong Miao, Jerome BaudryAdvances in Protein Chemistry and Structural Biology|May 1, 2019
Recent advances in computational studies of GPCR-G protein interactionsJinan Wang, Yinglong MiaoThe Journal of Physical Chemistry. B|July 9, 2019
Mechanistic Insights into Specific G Protein Interactions with Adenosine ReceptorsJinan Wang, Yinglong MiaoJournal of Chemical Theory and Computation|January 27, 2023
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein PocketJinan Wang, Yinglong MiaoPageof 33