Kiss G - Search Results

1

Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.

Dodani SC, Kiss G, Cahn JK, Su Y, Pande VS, Arnold FH. Dodani SC, et al. Among authors: kiss g. Nat Chem. 2016 May;8(5):419-25. doi: 10.1038/nchem.2474. Epub 2016 Mar 21. Nat Chem. 2016. PMID: 27102675 Free PMC article.

2

Molecular dynamics simulations for the ranking, evaluation, and refinement of computationally designed proteins.

Kiss G, Pande VS, Houk KN. Kiss G, et al. Methods Enzymol. 2013;523:145-70. doi: 10.1016/B978-0-12-394292-0.00007-2. Methods Enzymol. 2013. PMID: 23422429

3

Towards simple kinetic models of functional dynamics for a kinase subfamily.

Sultan MM, Kiss G, Pande VS. Sultan MM, et al. Among authors: kiss g. Nat Chem. 2018 Sep;10(9):903-909. doi: 10.1038/s41557-018-0077-9. Epub 2018 Jul 9. Nat Chem. 2018. PMID: 29988151

4

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

Sultan MM, Kiss G, Shukla D, Pande VS. Sultan MM, et al. Among authors: kiss g. J Chem Theory Comput. 2014 Dec 9;10(12):5217-5223. doi: 10.1021/ct500353m. Epub 2014 Oct 22. J Chem Theory Comput. 2014. PMID: 25516725 Free PMC article.

5

Identification of significantly mutated regions across cancer types highlights a rich landscape of functional molecular alterations.

Araya CL, Cenik C, Reuter JA, Kiss G, Pande VS, Snyder MP, Greenleaf WJ. Araya CL, et al. Among authors: kiss g. Nat Genet. 2016 Feb;48(2):117-25. doi: 10.1038/ng.3471. Epub 2015 Dec 21. Nat Genet. 2016. PMID: 26691984 Free PMC article.

6

Iterative approach to computational enzyme design.

Privett HK, Kiss G, Lee TM, Blomberg R, Chica RA, Thomas LM, Hilvert D, Houk KN, Mayo SL. Privett HK, et al. Among authors: kiss g. Proc Natl Acad Sci U S A. 2012 Mar 6;109(10):3790-5. doi: 10.1073/pnas.1118082108. Epub 2012 Feb 22. Proc Natl Acad Sci U S A. 2012. PMID: 22357762 Free PMC article.

7

Evaluation and ranking of enzyme designs.

Kiss G, Röthlisberger D, Baker D, Houk KN. Kiss G, et al. Protein Sci. 2010 Sep;19(9):1760-73. doi: 10.1002/pro.462. Protein Sci. 2010. PMID: 20665693 Free PMC article.

8

Computational enzyme design.

Kiss G, Çelebi-Ölçüm N, Moretti R, Baker D, Houk KN. Kiss G, et al. Angew Chem Int Ed Engl. 2013 May 27;52(22):5700-25. doi: 10.1002/anie.201204077. Epub 2013 Mar 25. Angew Chem Int Ed Engl. 2013. PMID: 23526810 Review.

9

Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.

Khersonsky O, Kiss G, Röthlisberger D, Dym O, Albeck S, Houk KN, Baker D, Tawfik DS. Khersonsky O, et al. Among authors: kiss g. Proc Natl Acad Sci U S A. 2012 Jun 26;109(26):10358-63. doi: 10.1073/pnas.1121063109. Epub 2012 Jun 8. Proc Natl Acad Sci U S A. 2012. PMID: 22685214 Free PMC article.

10

Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution.

Khersonsky O, Röthlisberger D, Wollacott AM, Murphy P, Dym O, Albeck S, Kiss G, Houk KN, Baker D, Tawfik DS. Khersonsky O, et al. Among authors: kiss g. J Mol Biol. 2011 Apr 1;407(3):391-412. doi: 10.1016/j.jmb.2011.01.041. Epub 2011 Jan 28. J Mol Biol. 2011. PMID: 21277311 Free PMC article.

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