| Scalable molecular dynamics on CPU and GPU architectures with NAMD JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ... The Journal of chemical physics 153 (4), 2020 | 2435 | 2020 |
| Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain Q Li, S Wanderling, M Paduch, D Medovoy, A Singharoy, R McGreevy, ... Nature structural & molecular biology 21 (3), 244-252, 2014 | 270 | 2014 |
| Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps A Singharoy, I Teo, R McGreevy, JE Stone, J Zhao, K Schulten Elife 5, e16105, 2016 | 167 | 2016 |
| Advances in the molecular dynamics flexible fitting method for cryo-EM modeling R McGreevy, I Teo, A Singharoy, K Schulten Methods 100, 50-60, 2016 | 101 | 2016 |
| Computational methodologies for real-space structural refinement of large macromolecular complexes BC Goh, JA Hadden, RC Bernardi, A Singharoy, R McGreevy, T Rudack, ... Annual Review of Biophysics 45 (1), 253-278, 2016 | 80 | 2016 |
| Symmetry-restrained flexible fitting for symmetric EM maps KY Chan, J Gumbart, R McGreevy, JM Watermeyer, BT Sewell, ... Structure 19 (9), 1211-1218, 2011 | 74 | 2011 |
| xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures R McGreevy, A Singharoy, Q Li, J Zhang, D Xu, E Perozo, K Schulten Biological Crystallography 70 (9), 2344-2355, 2014 | 52 | 2014 |
| GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting JE Stone, R McGreevy, B Isralewitz, K Schulten Faraday discussions 169, 265-283, 2014 | 50 | 2014 |
| CHARMM-GUI MDFF/xMDFF utilizer for molecular dynamics flexible fitting simulations in various environments Y Qi, J Lee, A Singharoy, R McGreevy, K Schulten, W Im The Journal of Physical Chemistry B 121 (15), 3718-3723, 2017 | 27 | 2017 |
| NAMD User’s guide R Bernardi, M Bhandarkar, A Bhatele, E Bohm, R Brunner, F Buelens, ... Urbana, Illinois, USA Theor. Comput. Biophys. Group, Beckman Institute, Univ …, 2018 | 12 | 2018 |
| Constructing atomic structural models into cryo-EM densities using molecular dynamics–Pros and cons Y Wang, M Shekhar, D Thifault, CJ Williams, R McGreevy, J Richardson, ... Journal of structural biology 204 (2), 319-328, 2018 | 10 | 2018 |
| Molecular Dynamics Flexible Fitting M Developers, R McGreevy, KY Chan, LG Trabuco, E Villa | 1 | 2019 |
| Molecular dynamics-based model refinement and validation with Resolution Exchange MDFF for sub-5 Å cryo-electron microscopy maps: Supplementary file A Singharoy, I Teo, R McGreevy, JE Stone, J Zhao, K Schulten | | |
