| 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 | 2998 | 2006 |
| 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 | 2018 | 2010 |
| 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 | 965 | 2008 |
| 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 | 801 | 2011 |
| 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 | 680 | 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 | 668 | 2011 |
| Architecture and membrane interactions of the EGF receptor A Arkhipov, Y Shan, R Das, NF Endres, MP Eastwood, DE Wemmer, ... Cell 152 (3), 557-569, 2013 | 528 | 2013 |
| Conformational coupling across the plasma membrane in activation of the EGF receptor NF Endres, R Das, AW Smith, A Arkhipov, E Kovacs, Y Huang, JG Pelton, ... Cell 152 (3), 543-556, 2013 | 520 | 2013 |
| Gaussian split Ewald: A fast Ewald mesh method for molecular simulation Y Shan, JL Klepeis, MP Eastwood, RO Dror, DE Shaw The Journal of chemical physics 122 (5), 2005 | 429 | 2005 |
| Prediction of protein interaction sites from sequence profile and residue neighbor list HX Zhou, Y Shan Proteins: Structure, Function, and Bioinformatics 44 (3), 336-343, 2001 | 403 | 2001 |
| Oncogenic mutations counteract intrinsic disorder in the EGFR kinase and promote receptor dimerization Y Shan, MP Eastwood, X Zhang, ET Kim, A Arkhipov, RO Dror, J Jumper, ... Cell 149 (4), 860-870, 2012 | 394 | 2012 |
| Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3 N Jura, Y Shan, X Cao, DE Shaw, J Kuriyan Proceedings of the National Academy of Sciences 106 (51), 21608-21613, 2009 | 375 | 2009 |
| Anton, a special-purpose machine for molecular dynamics simulation DE Shaw, MM Deneroff, RO Dror, JS Kuskin, RH Larson, JK Salmon, ... ACM SIGARCH Computer Architecture News 35 (2), 1-12, 2007 | 366 | 2007 |
| A conserved protonation-dependent switch controls drug binding in the Abl kinase Y Shan, MA Seeliger, MP Eastwood, F Frank, H Xu, MØ Jensen, RO Dror, ... Proceedings of the National Academy of Sciences 106 (1), 139-144, 2009 | 289 | 2009 |
| Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F RM Bandaranayake, D Ungureanu, Y Shan, DE Shaw, O Silvennoinen, ... Nature structural & molecular biology 19 (8), 754-759, 2012 | 263 | 2012 |
| Transitions to catalytically inactive conformations in EGFR kinase Y Shan, A Arkhipov, ET Kim, AC Pan, DE Shaw Proceedings of the National Academy of Sciences 110 (18), 7270-7275, 2013 | 220 | 2013 |
| How IGF-1 activates its receptor JM Kavran, JM McCabe, PO Byrne, MK Connacher, Z Wang, A Ramek, ... Elife 3, e03772, 2014 | 211 | 2014 |
| Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations MA Seeliger, P Ranjitkar, C Kasap, Y Shan, DE Shaw, NP Shah, ... Cancer research 69 (6), 2384-2392, 2009 | 185 | 2009 |
| Mechanism of Na+/H+ antiporting IT Arkin, H Xu, MØ Jensen, E Arbely, ER Bennett, KJ Bowers, E Chow, ... Science 317 (5839), 799-803, 2007 | 180 | 2007 |
| EGFR oligomerization organizes kinase-active dimers into competent signalling platforms SR Needham, SK Roberts, A Arkhipov, VP Mysore, CJ Tynan, ... Nature communications 7 (1), 13307, 2016 | 172 | 2016 |
Anton ArkhipovInvestigator, Allen InstituteEmail confirmado em alleninstitute.org
