Gert Kiss, Ph.D. - Publications

2012 University of California, Los Angeles, Los Angeles, CA 
theoretical and computational organic chemistry

15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Sultan MM, Kiss G, Pande VS. Towards simple kinetic models of functional dynamics for a kinase subfamily. Nature Chemistry. PMID 29988151 DOI: 10.1038/s41557-018-0077-9  0.44
2016 Dodani SC, Kiss G, Cahn JK, Su Y, Pande VS, Arnold FH. Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models. Nature Chemistry. 8: 419-25. PMID 27102675 DOI: 10.1038/nchem.2474  0.48
2015 Araya CL, Cenik C, Reuter JA, Kiss G, Pande VS, Snyder MP, Greenleaf WJ. Identification of significantly mutated regions across cancer types highlights a rich landscape of functional molecular alterations. Nature Genetics. PMID 26691984 DOI: 10.1038/ng.3471  0.48
2014 Sultan MM, Kiss G, Shukla D, Pande VS. Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 5217-5223. PMID 25516725 DOI: 10.1021/ct500353m  0.44
2014 Sultan MM, Kiss G, Shukla D, Pande VS. Automatic selection of order parameters in the analysis of large scale molecular dynamics simulations Journal of Chemical Theory and Computation. 10: 5217-5223. DOI: 10.1021/ct500353m  0.44
2013 Kiss G, Çelebi-Ölçüm N, Moretti R, Baker D, Houk KN. Computational enzyme design. Angewandte Chemie (International Ed. in English). 52: 5700-25. PMID 23526810 DOI: 10.1002/anie.201204077  0.48
2013 Kiss G, Pande VS, Houk KN. Molecular dynamics simulations for the ranking, evaluation, and refinement of computationally designed proteins Methods in Enzymology. 523: 145-170. PMID 23422429 DOI: 10.1016/B978-0-12-394292-0.00007-2  0.48
2013 Bjelic S, Nivón LG, Çelebi-Ölçüm N, Kiss G, Rosewall CF, Lovick HM, Ingalls EL, Gallaher JL, Seetharaman J, Lew S, Montelione GT, Hunt JF, Michael FE, Houk KN, Baker D. Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chemical Biology. 8: 749-57. PMID 23330600 DOI: 10.1021/cb3006227  0.48
2012 Kheirabadi M, Çelebi-Ölçüm N, Parker MF, Zhao Q, Kiss G, Houk KN, Schafmeister CE. Spiroligozymes for transesterifications: design and relationship of structure to activity. Journal of the American Chemical Society. 134: 18345-53. PMID 22992057 DOI: 10.1021/ja3069648  0.48
2012 Richter F, Blomberg R, Khare SD, Kiss G, Kuzin AP, Smith AJ, Gallaher J, Pianowski Z, Helgeson RC, Grjasnow A, Xiao R, Seetharaman J, Su M, Vorobiev S, Lew S, et al. Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. Journal of the American Chemical Society. 134: 16197-206. PMID 22871159 DOI: 10.1021/ja3037367  0.48
2012 Khersonsky O, Kiss G, Röthlisberger D, Dym O, Albeck S, Houk KN, Baker D, Tawfik DS. Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proceedings of the National Academy of Sciences of the United States of America. 109: 10358-63. PMID 22685214 DOI: 10.1073/pnas.1121063109  0.48
2012 Privett HK, Kiss G, Lee TM, Blomberg R, Chica RA, Thomas LM, Hilvert D, Houk KN, Mayo SL. Iterative approach to computational enzyme design. Proceedings of the National Academy of Sciences of the United States of America. 109: 3790-5. PMID 22357762 DOI: 10.1073/pnas.1118082108  0.48
2011 Khersonsky O, Röthlisberger D, Wollacott AM, Murphy P, Dym O, Albeck S, Kiss G, Houk KN, Baker D, Tawfik DS. Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution. Journal of Molecular Biology. 407: 391-412. PMID 21277311 DOI: 10.1016/j.jmb.2011.01.041  0.48
2010 Kiss G, Röthlisberger D, Baker D, Houk KN. Evaluation and ranking of enzyme designs. Protein Science : a Publication of the Protein Society. 19: 1760-73. PMID 20665693 DOI: 10.1002/pro.462  0.64
2010 Siegel JB, Zanghellini A, Lovick HM, Kiss G, Lambert AR, St Clair JL, Gallaher JL, Hilvert D, Gelb MH, Stoddard BL, Houk KN, Michael FE, Baker D. Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction. Science (New York, N.Y.). 329: 309-13. PMID 20647463 DOI: 10.1126/science.1190239  0.48
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