Kulik HJ - Search Results

1

Fluids and Electrolytes under Confinement in Single-Digit Nanopores.

Aluru NR, Aydin F, Bazant MZ, Blankschtein D, Brozena AH, de Souza JP, Elimelech M, Faucher S, Fourkas JT, Koman VB, Kuehne M, Kulik HJ, Li HK, Li Y, Li Z, Majumdar A, Martis J, Misra RP, Noy A, Pham TA, Qu H, Rayabharam A, Reed MA, Ritt CL, Schwegler E, Siwy Z, Strano MS, Wang Y, Yao YC, Zhan C, Zhang Z. Aluru NR, et al. Among authors: kulik hj. Chem Rev. 2023 Mar 22;123(6):2737-2831. doi: 10.1021/acs.chemrev.2c00155. Epub 2023 Mar 10. Chem Rev. 2023. PMID: 36898130 Free PMC article. Review.

2

Mediation of donor-acceptor distance in an enzymatic methyl transfer reaction.

Zhang J, Kulik HJ, Martinez TJ, Klinman JP. Zhang J, et al. Among authors: kulik hj. Proc Natl Acad Sci U S A. 2015 Jun 30;112(26):7954-9. doi: 10.1073/pnas.1506792112. Epub 2015 Jun 15. Proc Natl Acad Sci U S A. 2015. PMID: 26080432 Free PMC article.

3

Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer.

Diesendruck CE, Peterson GI, Kulik HJ, Kaitz JA, Mar BD, May PA, White SR, Martínez TJ, Boydston AJ, Moore JS. Diesendruck CE, et al. Among authors: kulik hj. Nat Chem. 2014 Jul;6(7):623-8. doi: 10.1038/nchem.1938. Epub 2014 Apr 28. Nat Chem. 2014. PMID: 24950333

4

Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.

Jonnalagadda R, Del Rio Flores A, Cai W, Mehmood R, Narayanamoorthy M, Ren C, Zaragoza JPT, Kulik HJ, Zhang W, Drennan CL. Jonnalagadda R, et al. Among authors: kulik hj. J Biol Chem. 2021 Jan-Jun;296:100231. doi: 10.1074/jbc.RA120.015932. Epub 2021 Jan 7. J Biol Chem. 2021. PMID: 33361191 Free PMC article.

5

Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models.

Duan C, Janet JP, Liu F, Nandy A, Kulik HJ. Duan C, et al. Among authors: kulik hj. J Chem Theory Comput. 2019 Apr 9;15(4):2331-2345. doi: 10.1021/acs.jctc.9b00057. Epub 2019 Mar 22. J Chem Theory Comput. 2019. PMID: 30860839

6

Local effects in the X-ray absorption spectrum of salt water.

Kulik HJ, Marzari N, Correa AA, Prendergast D, Schwegler E, Galli G. Kulik HJ, et al. J Phys Chem B. 2010 Jul 29;114(29):9594-601. doi: 10.1021/jp103526y. J Phys Chem B. 2010. PMID: 20604517

7

Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy.

Kulik HJ, Schwegler E, Galli G. Kulik HJ, et al. J Phys Chem Lett. 2012 Sep 20;3(18):2653-8. doi: 10.1021/jz300932p. Epub 2012 Sep 7. J Phys Chem Lett. 2012. PMID: 26295887

8

Ionization behavior of nanoporous polyamide membranes.

Ritt CL, Werber JR, Wang M, Yang Z, Zhao Y, Kulik HJ, Elimelech M. Ritt CL, et al. Among authors: kulik hj. Proc Natl Acad Sci U S A. 2020 Dec 1;117(48):30191-30200. doi: 10.1073/pnas.2008421117. Epub 2020 Nov 12. Proc Natl Acad Sci U S A. 2020. PMID: 33184175 Free PMC article.

9

Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning.

Nandy A, Duan C, Taylor MG, Liu F, Steeves AH, Kulik HJ. Nandy A, et al. Among authors: kulik hj. Chem Rev. 2021 Aug 25;121(16):9927-10000. doi: 10.1021/acs.chemrev.1c00347. Epub 2021 Jul 14. Chem Rev. 2021. PMID: 34260198 Free article. Review.

10

Machine learning reveals key ion selectivity mechanisms in polymeric membranes with subnanometer pores.

Ritt CL, Liu M, Pham TA, Epsztein R, Kulik HJ, Elimelech M. Ritt CL, et al. Among authors: kulik hj. Sci Adv. 2022 Jan 14;8(2):eabl5771. doi: 10.1126/sciadv.abl5771. Epub 2022 Jan 14. Sci Adv. 2022. PMID: 35030018 Free PMC article.

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