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Items: 1 to 20 of 58

1.

Dynamic transcription factor activity networks in response to independently altered mechanical and adhesive microenvironmental cues.

Peñalver Bernabé B, Shin S, Rios PD, Broadbelt LJ, Shea LD, Seidlits SK.

Integr Biol (Camb). 2016 Aug 8;8(8):844-60. doi: 10.1039/c6ib00093b. Epub 2016 Jul 29.

PMID:
27470442
2.

Exploring De Novo metabolic pathways from pyruvate to propionic acid.

Stine A, Zhang M, Ro S, Clendennen S, Shelton MC, Tyo KE, Broadbelt LJ.

Biotechnol Prog. 2016 Mar;32(2):303-11. doi: 10.1002/btpr.2233. Epub 2016 Mar 3.

PMID:
26821575
3.

Evaluating enzymatic synthesis of small molecule drugs.

Moura M, Finkle J, Stainbrook S, Greene J, Broadbelt LJ, Tyo KE.

Metab Eng. 2016 Jan;33:138-47. doi: 10.1016/j.ymben.2015.11.006. Epub 2015 Dec 4.

PMID:
26655066
4.

Assessment of a Cost-Effective Approach to the Calculation of Kinetic and Thermodynamic Properties of Methyl Methacrylate Homopolymerization: A Comprehensive Theoretical Study.

Zhang G, Konstantinov IA, Arturo SG, Yu D, Broadbelt LJ.

J Chem Theory Comput. 2014 Dec 9;10(12):5668-76. doi: 10.1021/ct500507f.

PMID:
26583249
5.

Characterizing and predicting carboxylic acid reductase activity for diversifying bioaldehyde production.

Moura M, Pertusi D, Lenzini S, Bhan N, Broadbelt LJ, Tyo KE.

Biotechnol Bioeng. 2016 May;113(5):944-52. doi: 10.1002/bit.25860. Epub 2015 Nov 10.

PMID:
26479709
6.

MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics.

Jeffryes JG, Colastani RL, Elbadawi-Sidhu M, Kind T, Niehaus TD, Broadbelt LJ, Hanson AD, Fiehn O, Tyo KE, Henry CS.

J Cheminform. 2015 Aug 28;7:44. doi: 10.1186/s13321-015-0087-1. eCollection 2015.

7.

Efficient searching and annotation of metabolic networks using chemical similarity.

Pertusi DA, Stine AE, Broadbelt LJ, Tyo KE.

Bioinformatics. 2015 Apr 1;31(7):1016-24. doi: 10.1093/bioinformatics/btu760. Epub 2014 Nov 21.

8.

Dynamic transcription factor activity and networks during ErbB2 breast oncogenesis and targeted therapy.

Weiss MS, Peñalver Bernabé B, Shin S, Asztalos S, Dubbury SJ, Mui MD, Bellis AD, Bluver D, Tonetti DA, Saez-Rodriguez J, Broadbelt LJ, Jeruss JS, Shea LD.

Integr Biol (Camb). 2014 Dec;6(12):1170-82. doi: 10.1039/c4ib00086b.

9.

Computational evaluation of factors governing catalytic 2-keto acid decarboxylation.

Wu D, Yue D, You F, Broadbelt LJ.

J Mol Model. 2014 Jun;20(6):2310. doi: 10.1007/s00894-014-2310-9. Epub 2014 Jun 10.

PMID:
24912593
10.

How sugars pucker: electronic structure calculations map the kinetic landscape of five biologically paramount monosaccharides and their implications for enzymatic catalysis.

Mayes HB, Broadbelt LJ, Beckham GT.

J Am Chem Soc. 2014 Jan 22;136(3):1008-22. doi: 10.1021/ja410264d. Epub 2014 Jan 10.

PMID:
24368073
11.

Sodium ion interactions with aqueous glucose: insights from quantum mechanics, molecular dynamics, and experiment.

Mayes HB, Tian J, Nolte MW, Shanks BH, Beckham GT, Gnanakaran S, Broadbelt LJ.

J Phys Chem B. 2014 Feb 27;118(8):1990-2000. doi: 10.1021/jp409481f. Epub 2013 Dec 17.

PMID:
24308866
12.

Microarray analysis identifies COMP as the most differentially regulated transcript throughout in vitro follicle growth.

Skory RM, Bernabé BP, Galdones E, Broadbelt LJ, Shea LD, Woodruff TK.

Mol Reprod Dev. 2013 Feb;80(2):132-44. doi: 10.1002/mrd.22144. Epub 2013 Jan 30.

13.

Dynamic transcription factor activity profiling in 2D and 3D cell cultures.

Bellis AD, Bernabé BP, Weiss MS, Shin S, Weng S, Broadbelt LJ, Shea LD.

Biotechnol Bioeng. 2013 Feb;110(2):563-72. doi: 10.1002/bit.24718. Epub 2012 Sep 18.

14.

Unraveling the reactions that unravel cellulose.

Mayes HB, Broadbelt LJ.

J Phys Chem A. 2012 Jul 5;116(26):7098-106. doi: 10.1021/jp300405x. Epub 2012 Jun 22.

PMID:
22686569
15.

Unraveling reaction pathways and specifying reaction kinetics for complex systems.

Vinu R, Broadbelt LJ.

Annu Rev Chem Biomol Eng. 2012;3:29-54. doi: 10.1146/annurev-chembioeng-062011-081108. Epub 2012 Jan 13. Review.

PMID:
22468596
16.

Enhanced catalytic decomposition of a phosphate triester by modularly accessible bimetallic porphyrin dyads and dimers.

Totten RK, Ryan P, Kang B, Lee SJ, Broadbelt LJ, Snurr RQ, Hupp JT, Nguyen ST.

Chem Commun (Camb). 2012 May 4;48(35):4178-80. doi: 10.1039/c2cc17568a. Epub 2012 Mar 21.

PMID:
22437348
17.

The impact of adhesion peptides within hydrogels on the phenotype and signaling of normal and cancerous mammary epithelial cells.

Weiss MS, Bernabé BP, Shikanov A, Bluver DA, Mui MD, Shin S, Broadbelt LJ, Shea LD.

Biomaterials. 2012 May;33(13):3548-59. doi: 10.1016/j.biomaterials.2012.01.055. Epub 2012 Feb 15.

18.

Regression formulas for density functional theory calculated 1H and 13C NMR chemical shifts in toluene-d8.

Konstantinov IA, Broadbelt LJ.

J Phys Chem A. 2011 Nov 10;115(44):12364-72. doi: 10.1021/jp2060975. Epub 2011 Oct 18.

PMID:
21966955
19.

Thermochemical property estimation of hydrogenated silicon clusters.

Adamczyk AJ, Broadbelt LJ.

J Phys Chem A. 2011 Aug 18;115(32):8969-82. doi: 10.1021/jp2018023. Epub 2011 Jul 26.

PMID:
21728331
20.

A computational approach to design and evaluate enzymatic reaction pathways: application to 1-butanol production from pyruvate.

Wu D, Wang Q, Assary RS, Broadbelt LJ, Krilov G.

J Chem Inf Model. 2011 Jul 25;51(7):1634-47. doi: 10.1021/ci2000659. Epub 2011 Jul 5.

PMID:
21671635
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