| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5901 | 2023 |
| 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 | 717 | 2015 |
| Ensemble docking in drug discovery RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ... Biophysical journal 114 (10), 2271-2278, 2018 | 449 | 2018 |
| 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 | 417 | 2014 |
| 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 | 252 | 2013 |
| Gaussian accelerated molecular dynamics: Principles and applications J Wang, PR Arantes, A Bhattarai, RV Hsu, S Pawnikar, YM Huang, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1521, 2021 | 191 | 2021 |
| Accelerated molecular dynamics simulations of protein folding Y Miao, F Feixas, C Eun, JA McCammon Journal of computational chemistry 36 (20), 1536-1549, 2015 | 175 | 2015 |
| 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 | 169 | 2017 |
| Unconstrained enhanced sampling for free energy calculations of biomolecules: a review Y Miao, JA McCammon Molecular simulation 42 (13), 1046-1055, 2016 | 161 | 2016 |
| 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 | 148 | 2017 |
| 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 | 147 | 2015 |
| Ligand Gaussian accelerated molecular dynamics (LiGaMD): Characterization of ligand binding thermodynamics and kinetics Y Miao, A Bhattarai, J Wang Journal of chemical theory and computation 16 (9), 5526-5547, 2020 | 146 | 2020 |
| 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 | 139 | 2016 |
| 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 | 131 | 2016 |
| Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia CJ Draper-Joyce, R Bhola, J Wang, A Bhattarai, ATN Nguyen, ... Nature 597 (7877), 571-576, 2021 | 128 | 2021 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 123 | 2018 |
| Gaussian accelerated molecular dynamics: theory, implementation, and applications Y Miao, JA McCammon Annual reports in computational chemistry 13, 231-278, 2017 | 121 | 2017 |
| 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 | 108 | 2013 |
| Deciphering off-target effects in CRISPR-Cas9 through accelerated molecular dynamics CG Ricci, JS Chen, Y Miao, M Jinek, JA Doudna, JA McCammon, ... ACS central science 5 (4), 651-662, 2019 | 107 | 2019 |
| 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 | 107 | 2018 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
