| Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction JB Siegel, A Zanghellini, HM Lovick, G Kiss, AR Lambert, JL St. Clair, ... Science 329 (5989), 309-313, 2010 | 1165 | 2010 |
| Computational enzyme design G Kiss, N Çelebi‐Ölçüm, R Moretti, D Baker, KN Houk Angewandte Chemie International Edition 52 (22), 5700-5725, 2013 | 576 | 2013 |
| Iterative approach to computational enzyme design HK Privett, G Kiss, TM Lee, R Blomberg, RA Chica, LM Thomas, D Hilvert, ... Proceedings of the National Academy of Sciences 109 (10), 3790-3795, 2012 | 402 | 2012 |
| RAS nucleotide cycling underlies the SHP2 phosphatase dependence of mutant BRAF-, NF1-and RAS-driven cancers RJ Nichols, F Haderk, C Stahlhut, CJ Schulze, G Hemmati, D Wildes, ... Nature cell biology 20 (9), 1064-1073, 2018 | 380 | 2018 |
| Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59 O Khersonsky, G Kiss, D Röthlisberger, O Dym, S Albeck, KN Houk, ... Proceedings of the National Academy of Sciences 109 (26), 10358-10363, 2012 | 271 | 2012 |
| Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution O Khersonsky, D Röthlisberger, AM Wollacott, P Murphy, O Dym, S Albeck, ... Journal of molecular biology 407 (3), 391-412, 2011 | 210 | 2011 |
| 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 |
| Evaluation and ranking of enzyme designs G Kiss, D Röthlisberger, D Baker, KN Houk Protein science 19 (9), 1760-1773, 2010 | 147 | 2010 |
| Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models SC Dodani, G Kiss, JKB Cahn, Y Su, VS Pande, FH Arnold Nature chemistry 8 (5), 419-425, 2016 | 142 | 2016 |
| Computational design of enone-binding proteins with catalytic activity for the Morita–Baylis–Hillman reaction S Bjelic, LG Nivón, N Çelebi-Ölçüm, G Kiss, CF Rosewall, ... ACS chemical biology 8 (4), 749-757, 2013 | 112 | 2013 |
| Identification of significantly mutated regions across cancer types highlights a rich landscape of functional molecular alterations CL Araya, C Cenik, JA Reuter, G Kiss, VS Pande, MP Snyder, ... Nature genetics 48 (2), 117-125, 2016 | 99 | 2016 |
| Selective inhibitors of mTORC1 activate 4EBP1 and suppress tumor growth BJ Lee, JA Boyer, GL Burnett, AP Thottumkara, N Tibrewal, SL Wilson, ... Nature chemical biology 17 (10), 1065-1074, 2021 | 71 | 2021 |
| Towards simple kinetic models of functional dynamics for a kinase subfamily MM Sultan, G Kiss, VS Pande Nature chemistry 10 (9), 903-909, 2018 | 65 | 2018 |
| Spiroligozymes for transesterifications: Design and relationship of structure to activity M Kheirabadi, N Çelebi-Ölçüm, MFL Parker, Q Zhao, G Kiss, ... Journal of the American Chemical Society 134 (44), 18345-18353, 2012 | 52 | 2012 |
| Discovery of RMC-5552, a selective bi-steric inhibitor of mTORC1, for the treatment of mTORC1-activated tumors GL Burnett, YC Yang, JB Aggen, J Pitzen, MK Gliedt, CM Semko, ... Journal of medicinal chemistry 66 (1), 149-169, 2022 | 36 | 2022 |
| Computerbasiertes Enzymdesign G Kiss, N Çelebi‐Ölçüm, R Moretti, D Baker, KN Houk Angewandte Chemie 125 (22), 5810-5836, 2013 | 33 | 2013 |
| A06 tri-complex inhibitors of the oncogenic, GTP-bound form of KRASG12C overcome RTK-mediated escape mechanisms and drive tumor regressions in preclinical models of NSCLC R Nichols, C Schulze, A Bermingham, T Choy, J Cregg, G Kiss, ... Journal of Thoracic Oncology 15 (2), S13-S14, 2020 | 29* | 2020 |
| Understanding protein dynamics with L1-regularized reversible hidden Markov models R McGibbon, B Ramsundar, M Sultan, G Kiss, V Pande International Conference on Machine Learning, 1197-1205, 2014 | 29 | 2014 |
| Automatic selection of order parameters in the analysis of large scale molecular dynamics simulations MM Sultan, G Kiss, D Shukla, VS Pande Journal of chemical theory and computation 10 (12), 5217-5223, 2014 | 27 | 2014 |
| 2, 5-disubstituted 3-methyl pyrazines and 2, 5, 6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors ES Koltun, K Mellem, A Gill, K Gert, C Semko, N Aay, A Buckl, A Jogalekar, ... US Patent 10,590,090, 2020 | 19 | 2020 |
