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Journal of Chemical Theory and Computation|July 13, 2024
Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible PeptidesJinan Wang, Yinglong MiaoBiochemistry|February 4, 2025
Mechanisms of Peptide Agonist Dissociation and Deactivation of Adhesion G-Protein-Coupled ReceptorsKeya Joshi, Yinglong MiaoJournal of Chemical Theory and Computation|January 31, 2022
Protein-Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and KineticsJinan Wang, Yinglong MiaoFuture Medicinal Chemistry|June 10, 2020
Pathway and mechanism of drug binding to chemokine receptors revealed by accelerated molecular simulationsShristi Pawnikar, Yinglong MiaoBiorxiv : the Preprint Server for Biology|August 13, 2025
Mechanism of Tethered Agonist Binding to an Adhesion G-Protein-Coupled ReceptorKeya Joshi, Yinglong MiaoBiorxiv : the Preprint Server for Biology|September 24, 2024
Mechanisms of peptide agonist dissociation and deactivation of adhesion G-protein-coupled receptorsKeya Joshi, Yinglong MiaoFrontiers in Molecular Biosciences|April 1, 2022
Mechanism of Peptide Agonist Binding in CXCR4 Chemokine ReceptorShristi Pawnikar, Yinglong MiaoThe Journal of Chemical Physics|October 23, 2020
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide bindingJinan Wang, Yinglong MiaoAnnual Reports in Computational Chemistry|May 4, 2018
Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and ApplicationsYinglong Miao, J Andrew McCammonNeural Regeneration Research|May 20, 2024
Emerging structures and dynamic mechanisms of γ-secretase for Alzheimer's diseaseYinglong Miao, Michael S WolfePageof 33