| 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 | 4853 | 2010 |
| 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 | 1860 | 2010 |
| How fast-folding proteins fold K Lindorff-Larsen, S Piana, RO Dror, DE Shaw Science 334 (6055), 517-520, 2011 | 1845 | 2011 |
| How robust are protein folding simulations with respect to force field parameterization? S Piana, K Lindorff-Larsen, DE Shaw Biophysical journal 100 (9), L47-L49, 2011 | 804 | 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 | 716 | 2012 |
| Developing a molecular dynamics force field for both folded and disordered protein states P Robustelli, S Piana, DE Shaw Proceedings of the National Academy of Sciences 115 (21), E4758-E4766, 2018 | 649 | 2018 |
| Water dispersion interactions strongly influence simulated structural properties of disordered protein states S Piana, AG Donchev, P Robustelli, DE Shaw The journal of physical chemistry B 119 (16), 5113-5123, 2015 | 643 | 2015 |
| 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 | 641 | 2009 |
| A bias-exchange approach to protein folding S Piana, A Laio The journal of physical chemistry B 111 (17), 4553-4559, 2007 | 589 | 2007 |
| Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations S Piana, JL Klepeis, DE Shaw Current opinion in structural biology 24, 98-105, 2014 | 479 | 2014 |
| Identification of two distinct inactive conformations of the β2-adrenergic receptor reconciles structural and biochemical observations RO Dror, DH Arlow, DW Borhani, MØ Jensen, S Piana, DE Shaw Proceedings of the National Academy of Sciences 106 (12), 4689-4694, 2009 | 354 | 2009 |
| Atomic-level description of ubiquitin folding S Piana, K Lindorff-Larsen, DE Shaw Proceedings of the National Academy of Sciences 110 (15), 5915-5920, 2013 | 339 | 2013 |
| A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations F Marinelli, F Pietrucci, A Laio, S Piana PLoS computational biology 5 (8), e1000452, 2009 | 315 | 2009 |
| Refinement of protein structure homology models via long, all‐atom molecular dynamics simulations A Raval, S Piana, MP Eastwood, RO Dror, DE Shaw Proteins: Structure, Function, and Bioinformatics 80 (8), 2071-2079, 2012 | 303 | 2012 |
| Protein folding kinetics and thermodynamics from atomistic simulation S Piana, K Lindorff-Larsen, DE Shaw Proceedings of the National Academy of Sciences 109 (44), 17845-17850, 2012 | 296 | 2012 |
| Structure and dynamics of an unfolded protein examined by molecular dynamics simulation K Lindorff-Larsen, N Trbovic, P Maragakis, S Piana, DE Shaw Journal of the American Chemical Society 134 (8), 3787-3791, 2012 | 265 | 2012 |
| Simulating micrometre-scale crystal growth from solution S Piana, M Reyhani, JD Gale Nature 438 (7064), 70-73, 2005 | 234 | 2005 |
| Structural origin of slow diffusion in protein folding HS Chung, S Piana-Agostinetti, DE Shaw, WA Eaton Science 349 (6255), 1504-1510, 2015 | 191 | 2015 |
| RNA force field with accuracy comparable to state-of-the-art protein force fields D Tan, S Piana, RM Dirks, DE Shaw Proceedings of the National Academy of Sciences 115 (7), E1346-E1355, 2018 | 181 | 2018 |
| Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease S Piana, P Carloni, M Parrinello Journal of molecular biology 319 (2), 567-583, 2002 | 173 | 2002 |
