Yinglong Miao
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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
1992015
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
1912013
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
1732014
Ensemble docking in drug discovery
RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ...
Biophysical journal 114 (10), 2271-2278, 2018
992018
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
962015
Accelerated molecular dynamics simulations of protein folding
Y Miao, F Feixas, C Eun, JA McCammon
Journal of computational chemistry 36 (20), 1536-1549, 2015
922015
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
752017
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
722013
Unconstrained enhanced sampling for free energy calculations of biomolecules: a review
Y Miao, JA McCammon
Molecular simulation 42 (13), 1046-1055, 2016
702016
G-protein coupled receptors: advances in simulation and drug discovery
Y Miao, JA McCammon
Current opinion in structural biology 41, 83-89, 2016
652016
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
602014
Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor
Y Miao, DA Goldfeld, E Von Moo, PM Sexton, A Christopoulos, ...
Proceedings of the National Academy of Sciences 113 (38), E5675-E5684, 2016
572016
All-atom multiscale simulation of cowpea chlorotic mottle virus capsid swelling
Y Miao, JE Johnson, PJ Ortoleva
The Journal of Physical Chemistry B 114 (34), 11181-11195, 2010
542010
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
532016
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
492015
Allosteric effects of sodium ion binding on activation of the m3 muscarinic g-protein-coupled receptor
Y Miao, AD Caliman, JA McCammon
Biophysical journal 108 (7), 1796-1806, 2015
482015
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
462016
Temperature-dependent dynamical transitions of different classes of amino acid residue in a globular protein
Y Miao, Z Yi, DC Glass, L Hong, M Tyagi, J Baudry, N Jain, JC Smith
Journal of the American Chemical Society 134 (48), 19576-19579, 2012
442012
Derivation of mean-square displacements for protein dynamics from elastic incoherent neutron scattering
Z Yi, Y Miao, J Baudry, N Jain, JC Smith
The Journal of Physical Chemistry B 116 (16), 5028-5036, 2012
442012
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
402017
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Artículos 1–20