| 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 | 1027 | 2010 |
| 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 | 345 | 2013 |
| 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 | 299 | 2011 |
| De novo enzyme design using Rosetta3 F Richter, A Leaver-Fay, SD Khare, S Bjelic, D Baker PloS one 6 (5), e19230, 2011 | 259 | 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 | 251 | 2007 |
| 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 | 228 | 2004 |
| Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis SD Khare, Y Kipnis, R Takeuchi, Y Ashani, M Goldsmith, Y Song, ... Nature chemical biology 8 (3), 294-300, 2012 | 215 | 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 | 162 | 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 | 124 | 2012 |
| Molecular origin of polyglutamine aggregation in neurodegenerative diseases SD Khare, F Ding, KN Gwanmesia, NV Dokholyan PLoS Comput Biol 1 (3), e30, 2005 | 114 | 2005 |
| 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 | 99 | 2006 |
| 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 | 97 | 2013 |
| Can contact potentials reliably predict stability of proteins? J Khatun, SD Khare, NV Dokholyan Journal of molecular biology 336 (5), 1223-1238, 2004 | 83 | 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 Comput Biol 11 (11), e1004556, 2015 | 80 | 2015 |
| 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 | 79 | 2013 |
| 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 | 72 | 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 | 72 | 2003 |
| FALS mutations in Cu, Zn superoxide dismutase destabilize the dimer and increase dimer dissociation propensity: a large-scale thermodynamic analysis SD Khare, M Caplow, NV Dokholyan Amyloid 13 (4), 226-235, 2006 | 57 | 2006 |
| Restricted sidechain plasticity in the structures of native proteins and complexes SJ Fleishman, SD Khare, N Koga, D Baker Protein Science 20 (4), 753-757, 2011 | 55 | 2011 |
| Emerging themes in the computational design of novel enzymes and protein–protein interfaces SD Khare, SJ Fleishman FEBS letters 587 (8), 1147-1154, 2013 | 48 | 2013 |
