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Yinglong Miao
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Year
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
4852021
Gaussian accelerated molecular dynamics: unconstrained enhanced sampling and free energy calculation
Y Miao, VA Feher, JA McCammon
Journal of chemical theory and computation 11 (8), 3584-3595, 2015
3832015
Improved reweighting of accelerated molecular dynamics simulations for free energy calculation
Y Miao, W Sinko, L Pierce, D Bucher, RC Walker, JA McCammon
Journal of chemical theory and computation 10 (7), 2677-2689, 2014
2902014
Ensemble docking in drug discovery
RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ...
Biophysical journal 114 (10), 2271-2278, 2018
2822018
Activation and dynamic network of the M2 muscarinic receptor
Y Miao, SE Nichols, PM Gasper, VT Metzger, JA McCammon
Proceedings of the National Academy of Sciences 110 (27), 10982-10987, 2013
2252013
Accelerated molecular dynamics simulations of protein folding
Y Miao, F Feixas, C Eun, JA McCammon
Journal of computational chemistry 36 (20), 1536-1549, 2015
1432015
Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor
K Kappel, Y Miao, JA McCammon
Quarterly reviews of biophysics 48 (4), 479-487, 2015
1242015
CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations
G Palermo, Y Miao, RC Walker, M Jinek, JA McCammon
Proceedings of the National Academy of Sciences 114 (28), 7260-7265, 2017
1232017
Unconstrained enhanced sampling for free energy calculations of biomolecules: a review
Y Miao, JA McCammon
Molecular simulation 42 (13), 1046-1055, 2016
1112016
Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor
Y Miao, JA McCammon
Proceedings of the National Academy of Sciences 113 (43), 12162-12167, 2016
1052016
Population based reweighting of scaled molecular dynamics
W Sinko, Y Miao, CAF de Oliveira, JA McCammon
The Journal of Physical Chemistry B 117 (42), 12759-12768, 2013
932013
Striking plasticity of CRISPR-Cas9 and key role of non-target DNA, as revealed by molecular simulations
G Palermo, Y Miao, RC Walker, M Jinek, JA McCammon
ACS central science 2 (10), 756-763, 2016
852016
Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor
Y Miao, DA Goldfeld, EV Moo, PM Sexton, A Christopoulos, ...
Proceedings of the National Academy of Sciences 113 (38), E5675-E5684, 2016
842016
G-protein coupled receptors: advances in simulation and drug discovery
Y Miao, JA McCammon
Current opinion in structural biology 41, 83-89, 2016
832016
Gaussian accelerated molecular dynamics in NAMD
YT Pang, Y Miao, Y Wang, JA McCammon
Journal of chemical theory and computation 13 (1), 9-19, 2017
782017
Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics
Y Miao, SE Nichols, JA McCammon
Physical Chemistry Chemical Physics 16 (14), 6398-6406, 2014
762014
AMBER; University of California: San Francisco, 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
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76
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2018
742018
Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor
Y Miao, JA McCammon
Proceedings of the National Academy of Sciences 115 (12), 3036-3041, 2018
732018
Multi-conformer ensemble docking to difficult protein targets
SR Ellingson, Y Miao, J Baudry, JC Smith
The Journal of Physical Chemistry B 119 (3), 1026-1034, 2015
722015
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