Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics von Miao, Yinglong

Volltext

Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding von Wang, Jinan, Miao, Yinglong

Volltext

Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics von Miao, Yinglong, Bhattarai, Apurba, Wang, Jinan

Volltext

Motion Planning Networks: Bridging the Gap Between Learning-Based and Classical Motion Planners von Qureshi, Ahmed Hussain, Miao, Yinglong, Simeonov, Anthony, Yip, Michael C.

Volltext

Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor von Miao, Yinglong, McCammon, J. Andrew

Volltext

Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor von Miao, Yinglong, McCammon, J. Andrew

Volltext

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation von Miao, Yinglong, Feher, Victoria A, McCammon, J. Andrew

Volltext

G-protein coupled receptors: advances in simulation and drug discovery von Miao, Yinglong, McCammon, J Andrew

Volltext

Emerging structures and dynamic mechanisms of γ-secretase for Alzheimer's disease von Miao, Yinglong, Wolfe, Michael S

Volltext

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation von Miao, Yinglong, Sinko, William, Pierce, Levi, Bucher, Denis, Walker, Ross C, McCammon, J. Andrew

Volltext

Accelerated molecular dynamics simulations of protein folding von Miao, Yinglong, Feixas, Ferran, Eun, Changsun, McCammon, J. Andrew

Volltext

CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations von Palermo, Giulia, Miao, Yinglong, Walker, Ross C., Jinek, Martin, McCammon, J. Andrew

Volltext

Mechanistic Insights into Peptide Binding and Deactivation of an Adhesion G Protein-Coupled Receptor von Adediwura, Victor A, Miao, Yinglong

Volltext

Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor von Kappel, Kalli, Miao, Yinglong, McCammon, J. Andrew

Volltext

Activation and dynamic network of the M2 muscarinic receptor von Miao, Yinglong, Nichols, Sara E., Gasper, Paul M., Metzger, Vincent T., McCammon, J. Andrew

Volltext

Improved Modeling of Peptide-Protein Binding Through Global Docking and Accelerated Molecular Dynamics Simulations von Wang, Jinan, Alekseenko, Andrey, Kozakov, Dima, Miao, Yinglong

Volltext

Allosteric Effects of Sodium Ion Binding on Activation of the M3 Muscarinic G-Protein-Coupled Receptor von Miao, Yinglong, Caliman, Alisha D., McCammon, J. Andrew

Volltext

Activation of polycystin-1 signaling by binding of stalk-derived peptide agonists von Pawnikar, Shristi, Magenheimer, Brenda S, Joshi, Keya, Nevarez-Munoz, Ericka, Haldane, Allan, Maser, Robin L, Miao, Yinglong

Volltext

Distinct binding conformations of epinephrine with α- and β-adrenergic receptors von Lou, Jian-Shu, Su, Minfei, Wang, Jinan, Do, Hung Nguyen, Miao, Yinglong, Huang, Xin-Yun

Volltext

Structural basis of agonist specificity of α1A-adrenergic receptor von Su, Minfei, Wang, Jinan, Xiang, Guoqing, Do, Hung Nguyen, Levitz, Joshua, Miao, Yinglong, Huang, Xin-Yun

Volltext