Pande VS - Search Results

1

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: pande vs. 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.

2

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

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

3

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: pande vs. 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.

4

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

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

5

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: pande vs. 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.

6

Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'.

Levin AM, Bates DL, Ring AM, Krieg C, Lin JT, Su L, Moraga I, Raeber ME, Bowman GR, Novick P, Pande VS, Fathman CG, Boyman O, Garcia KC. Levin AM, et al. Among authors: pande vs. Nature. 2012 Mar 25;484(7395):529-33. doi: 10.1038/nature10975. Nature. 2012. PMID: 22446627 Free PMC article.

7

Absolute comparison of simulated and experimental protein-folding dynamics.

Snow CD, Nguyen H, Pande VS, Gruebele M. Snow CD, et al. Among authors: pande vs. Nature. 2002 Nov 7;420(6911):102-6. doi: 10.1038/nature01160. Epub 2002 Oct 20. Nature. 2002. PMID: 12422224

8

Combining molecular dynamics with bayesian analysis to predict and evaluate ligand-binding mutations in influenza hemagglutinin.

Kasson PM, Ensign DL, Pande VS. Kasson PM, et al. Among authors: pande vs. J Am Chem Soc. 2009 Aug 19;131(32):11338-40. doi: 10.1021/ja904557w. J Am Chem Soc. 2009. PMID: 19637916 Free PMC article.

9

Investigating how peptide length and a pathogenic mutation modify the structural ensemble of amyloid beta monomer.

Lin YS, Bowman GR, Beauchamp KA, Pande VS. Lin YS, et al. Among authors: pande vs. Biophys J. 2012 Jan 18;102(2):315-24. doi: 10.1016/j.bpj.2011.12.002. Biophys J. 2012. PMID: 22339868 Free PMC article.

10

Electric fields at the active site of an enzyme: direct comparison of experiment with theory.

Suydam IT, Snow CD, Pande VS, Boxer SG. Suydam IT, et al. Among authors: pande vs. Science. 2006 Jul 14;313(5784):200-4. doi: 10.1126/science.1127159. Science. 2006. PMID: 16840693

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