| Improved side‐chain torsion potentials for the Amber ff99SB protein force field K Lindorff‐Larsen, S Piana, K Palmo, P Maragakis, JL Klepeis, RO Dror, ... Proteins: Structure, Function, and Bioinformatics 78 (8), 1950-1958, 2010 | 5747 | 2010 |
| Scalable algorithms for molecular dynamics simulations on commodity clusters KJ Bowers, E Chow, H Xu, RO Dror, MP Eastwood, BA Gregersen, ... Proceedings of the 2006 ACM/IEEE Conference on Supercomputing, 84-es, 2006 | 3262 | 2006 |
| How fast-folding proteins fold K Lindorff-Larsen, S Piana, RO Dror, DE Shaw Science 334 (6055), 517-520, 2011 | 2081 | 2011 |
| Atomic-level characterization of the structural dynamics of proteins DE Shaw, P Maragakis, K Lindorff-Larsen, S Piana, RO Dror, ... Science 330 (6002), 341-346, 2010 | 2066 | 2010 |
| Molecular dynamics simulation for all SA Hollingsworth, RO Dror Neuron 99 (6), 1129-1143, 2018 | 2065 | 2018 |
| Biomolecular simulation: a computational microscope for molecular biology RO Dror, RM Dirks, JP Grossman, H Xu, DE Shaw Annual review of biophysics 41 (1), 429-452, 2012 | 1260 | 2012 |
| Anton, a special-purpose machine for molecular dynamics simulation DE Shaw, MM Deneroff, RO Dror, JS Kuskin, RH Larson, JK Salmon, ... Communications of the ACM 51 (7), 91-97, 2008 | 982 | 2008 |
| Long-timescale molecular dynamics simulations of protein structure and function JL Klepeis, K Lindorff-Larsen, RO Dror, DE Shaw Current opinion in structural biology 19 (2), 120-127, 2009 | 943 | 2009 |
| Structure and dynamics of the M3 muscarinic acetylcholine receptor AC Kruse, J Hu, AC Pan, DH Arlow, DM Rosenbaum, E Rosemond, ... Nature 482 (7386), 552-556, 2012 | 927 | 2012 |
| Structural insights into µ-opioid receptor activation W Huang, A Manglik, AJ Venkatakrishnan, T Laeremans, EN Feinberg, ... Nature 524 (7565), 315-321, 2015 | 922 | 2015 |
| Structure and function of an irreversible agonist-β2 adrenoceptor complex DM Rosenbaum, C Zhang, JA Lyons, R Holl, D Aragao, DH Arlow, ... Nature 469 (7329), 236-240, 2011 | 908 | 2011 |
| The dynamic process of β2-adrenergic receptor activation R Nygaard, Y Zou, RO Dror, TJ Mildorf, DH Arlow, A Manglik, AC Pan, ... Cell 152 (3), 532-542, 2013 | 902 | 2013 |
| Pathway and mechanism of drug binding to G-protein-coupled receptors RO Dror, AC Pan, DH Arlow, DW Borhani, P Maragakis, Y Shan, H Xu, ... Proceedings of the National Academy of Sciences 108 (32), 13118-13123, 2011 | 829 | 2011 |
| Systematic validation of protein force fields against experimental data K Lindorff-Larsen, P Maragakis, S Piana, MP Eastwood, RO Dror, ... PloS one 7 (2), e32131, 2012 | 782 | 2012 |
| GPCR dynamics: structures in motion NR Latorraca, AJ Venkatakrishnan, RO Dror Chemical reviews 117 (1), 139-155, 2017 | 760 | 2017 |
| Anton 2: raising the bar for performance and programmability in a special-purpose molecular dynamics supercomputer DE Shaw, JP Grossman, JA Bank, B Batson, JA Butts, JC Chao, ... SC'14: Proceedings of the International Conference for High Performance …, 2014 | 721 | 2014 |
| Millisecond-scale molecular dynamics simulations on Anton DE Shaw, RO Dror, JK Salmon, JP Grossman, KM Mackenzie, JA Bank, ... Proceedings of the conference on high performance computing networking …, 2009 | 689 | 2009 |
| How does a drug molecule find its target binding site? Y Shan, ET Kim, MP Eastwood, RO Dror, MA Seeliger, DE Shaw Journal of the American Chemical Society 133 (24), 9181-9183, 2011 | 687 | 2011 |
| Mechanism of voltage gating in potassium channels MØ Jensen, V Jogini, DW Borhani, AE Leffler, RO Dror, DE Shaw Science 336 (6078), 229-233, 2012 | 658 | 2012 |
| Structure of the µ-opioid receptor–Gi protein complex A Koehl, H Hu, S Maeda, Y Zhang, Q Qu, JM Paggi, NR Latorraca, ... Nature 558 (7711), 547-552, 2018 | 650 | 2018 |
