| 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 | 992 | 2012 |
| 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 | 973 | 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 | 889 | 2011 |
| Activation mechanism of the β2-adrenergic receptor RO Dror, DH Arlow, P Maragakis, TJ Mildorf, AC Pan, H Xu, DW Borhani, ... Proceedings of the National Academy of Sciences, 2011 | 725 | 2011 |
| Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs RO Dror, HF Green, C Valant, DW Borhani, JR Valcourt, AC Pan, ... Nature 503 (7475), 295-299, 2013 | 480 | 2013 |
| Molecular determinants of drug–receptor binding kinetics AC Pan, DW Borhani, RO Dror, DE Shaw Drug discovery today 18 (13-14), 667-673, 2013 | 462 | 2013 |
| Finding transition pathways using the string method with swarms of trajectories AC Pan, D Sezer, B Roux The Journal of Physical Chemistry B 112 (11), 3432-3440, 2008 | 427 | 2008 |
| Structural basis for the coupling between activation and inactivation gates in K+ channels LG Cuello, V Jogini, DM Cortes, AC Pan, DG Gagnon, O Dalmas, ... Nature 466 (7303), 272-275, 2010 | 343 | 2010 |
| 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 | 239 | 2013 |
| Atomic-level characterization of protein–protein association AC Pan, D Jacobson, K Yatsenko, D Sritharan, TM Weinreich, DE Shaw Proceedings of the National Academy of Sciences 116 (10), 4244-4249, 2019 | 227 | 2019 |
| Recovery from slow inactivation in K+ channels is controlled by water molecules J Ostmeyer, S Chakrapani, AC Pan, E Perozo, B Roux Nature 501 (7465), 121-124, 2013 | 220 | 2013 |
| Building Markov state models along pathways to determine free energies and rates of transitions AC Pan, B Roux The Journal of chemical physics 129 (6), 2008 | 187 | 2008 |
| Dynamics of nucleation in the Ising model AC Pan, D Chandler The Journal of Physical Chemistry B 108 (51), 19681-19686, 2004 | 161 | 2004 |
| Quantitative characterization of the binding and unbinding of millimolar drug fragments with molecular dynamics simulations AC Pan, H Xu, T Palpant, DE Shaw Journal of chemical theory and computation 13 (7), 3372-3377, 2017 | 138 | 2017 |
| Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS) S Sangwan, A Zhao, KL Adams, CK Jayson, MR Sawaya, EL Guenther, ... Proceedings of the National Academy of Sciences 114 (33), 8770-8775, 2017 | 131 | 2017 |
| Molecular basis of small-molecule binding to α-synuclein P Robustelli, A Ibanez-de-Opakua, C Campbell-Bezat, F Giordanetto, ... Journal of the American Chemical Society 144 (6), 2501-2510, 2022 | 126 | 2022 |
| Lengthscale dependence of dynamic four-point susceptibilities in glass formers D Chandler, JP Garrahan, RL Jack, L Maibaum, AC Pan Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 74 (5 …, 2006 | 122 | 2006 |
| Heterogeneity and growing length scales in the dynamics of kinetically constrained lattice gases in two dimensions AC Pan, JP Garrahan, D Chandler Physical Review E 72 (4), 041106, 2005 | 112 | 2005 |
| Demonstrating an order-of-magnitude sampling enhancement in molecular dynamics simulations of complex protein systems AC Pan, TM Weinreich, S Piana, DE Shaw Journal of chemical theory and computation 12 (3), 1360-1367, 2016 | 107 | 2016 |
| Molecular basis of ligand dissociation from the adenosine A2A receptor D Guo, AC Pan, RO Dror, T Mocking, R Liu, LH Heitman, DE Shaw, ... Molecular pharmacology 89 (5), 485-491, 2016 | 104 | 2016 |
