| Quantitative reactivity profiling predicts functional cysteines in proteomes E Weerapana, C Wang, GM Simon, F Richter, S Khare, MBD Dillon, ... Nature 468 (7325), 790-795, 2010 | 1683 | 2010 |
| Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 694 | 2020 |
| RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite SJ Fleishman, A Leaver-Fay, JE Corn, EM Strauch, SD Khare, N Koga, ... PloS one 6 (6), e20161, 2011 | 643 | 2011 |
| Computational design of ligand-binding proteins with high affinity and selectivity CE Tinberg, SD Khare, J Dou, L Doyle, JW Nelson, A Schena, ... Nature 501 (7466), 212-216, 2013 | 505 | 2013 |
| De novo enzyme design using Rosetta3 F Richter, A Leaver-Fay, SD Khare, S Bjelic, D Baker PloS one 6 (5), e19230, 2011 | 430 | 2011 |
| Structure prediction for CASP7 targets using extensive all‐atom refinement with Rosetta@ home R Das, B Qian, S Raman, R Vernon, J Thompson, P Bradley, S Khare, ... Proteins: Structure, Function, and Bioinformatics 69 (S8), 118-128, 2007 | 281 | 2007 |
| Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis SD Khare, Y Kipnis, PJ Greisen, R Takeuchi, Y Ashani, M Goldsmith, ... Nature chemical biology 8 (3), 294-300, 2012 | 256 | 2012 |
| Molecular dynamics simulation of amyloid β dimer formation B Urbanc, L Cruz, F Ding, D Sammond, S Khare, SV Buldyrev, HE Stanley, ... Biophysical journal 87 (4), 2310-2321, 2004 | 254 | 2004 |
| Computational design of catalytic dyads and oxyanion holes for ester hydrolysis F Richter, R Blomberg, SD Khare, G Kiss, AP Kuzin, AJT Smith, J Gallaher, ... Journal of the American Chemical Society 134 (39), 16197-16206, 2012 | 196 | 2012 |
| The rate and equilibrium constants for a multistep reaction sequence for the aggregation of superoxide dismutase in amyotrophic lateral sclerosis SD Khare, M Caplow, NV Dokholyan Proceedings of the National Academy of Sciences 101 (42), 15094-15099, 2004 | 191 | 2004 |
| FireProt: energy-and evolution-based computational design of thermostable multiple-point mutants D Bednar, K Beerens, E Sebestova, J Bendl, S Khare, R Chaloupkova, ... PLoS computational biology 11 (11), e1004556, 2015 | 175 | 2015 |
| Computational design of an unnatural amino acid dependent metalloprotein with atomic level accuracy JH Mills, SD Khare, JM Bolduc, F Forouhar, VK Mulligan, S Lew, ... Journal of the American Chemical Society 135 (36), 13393-13399, 2013 | 135 | 2013 |
| Molecular origin of polyglutamine aggregation in neurodegenerative diseases SD Khare, F Ding, KN Gwanmesia, NV Dokholyan PLoS computational biology 1 (3), e30, 2005 | 129 | 2005 |
| Engineering V-type nerve agents detoxifying enzymes using computationally focused libraries I Cherny, P Greisen Jr, Y Ashani, SD Khare, G Oberdorfer, H Leader, ... ACS chemical biology 8 (11), 2394-2403, 2013 | 124 | 2013 |
| Common dynamical signatures of familial amyotrophic lateral sclerosis-associated structurally diverse Cu, Zn superoxide dismutase mutants SD Khare, NV Dokholyan Proceedings of the National Academy of Sciences 103 (9), 3147-3152, 2006 | 118 | 2006 |
| Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition KM Davis, KR Schramma, WA Hansen, JP Bacik, SD Khare, ... Proceedings of the National Academy of Sciences 114 (39), 10420-10425, 2017 | 96 | 2017 |
| Can contact potentials reliably predict stability of proteins? J Khatun, SD Khare, NV Dokholyan Journal of molecular biology 336 (5), 1223-1238, 2004 | 95 | 2004 |
| New insights into FAK signaling and localization based on detection of a FAT domain folding intermediate RDS Dixon, Y Chen, F Ding, SD Khare, KC Prutzman, MD Schaller, ... Structure 12 (12), 2161-2171, 2004 | 81 | 2004 |
| Folding of Cu, Zn superoxide dismutase and familial amyotrophic lateral sclerosis SD Khare, F Ding, NV Dokholyan Journal of molecular biology 334 (3), 515-525, 2003 | 79 | 2003 |
| Enzyme stabilization via computationally guided protein stapling EJ Moore, D Zorine, WA Hansen, SD Khare, R Fasan Proceedings of the National Academy of Sciences 114 (47), 12472-12477, 2017 | 76 | 2017 |
