Cui Q - Search Results

1

Biological Responses to Engineered Nanomaterials: Needs for the Next Decade.

Murphy CJ, Vartanian AM, Geiger FM, Hamers RJ, Pedersen J, Cui Q, Haynes CL, Carlson EE, Hernandez R, Klaper RD, Orr G, Rosenzweig Z. Murphy CJ, et al. Among authors: cui q. ACS Cent Sci. 2015 Jun 24;1(3):117-23. doi: 10.1021/acscentsci.5b00182. Epub 2015 Jun 9. ACS Cent Sci. 2015. PMID: 27162961 Free PMC article. Review.

2

Conformational disorder enhances electron transfer through alkyl monolayers: ferrocene on conductive diamond.

Ruther RE, Cui Q, Hamers RJ. Ruther RE, et al. Among authors: cui q. J Am Chem Soc. 2013 Apr 17;135(15):5751-61. doi: 10.1021/ja312680p. Epub 2013 Apr 9. J Am Chem Soc. 2013. PMID: 23530540

3

Integrated Hamiltonian sampling: a simple and versatile method for free energy simulations and conformational sampling.

Mori T, Hamers RJ, Pedersen JA, Cui Q. Mori T, et al. Among authors: cui q. J Phys Chem B. 2014 Jul 17;118(28):8210-20. doi: 10.1021/jp501339t. Epub 2014 Mar 27. J Phys Chem B. 2014. PMID: 24641518

4

Correction to An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces.

Mori T, Hamers RJ, Pedersen JA, Cui Q. Mori T, et al. Among authors: cui q. J Chem Theory Comput. 2014 Dec 9;10(12):5738. doi: 10.1021/ct500942q. J Chem Theory Comput. 2014. PMID: 26583255 No abstract available.

5

An Explicit Consideration of Desolvation is Critical to Binding Free Energy Calculations of Charged Molecules at Ionic Surfaces.

Mori T, Hamers RJ, Pedersen JA, Cui Q. Mori T, et al. Among authors: cui q. J Chem Theory Comput. 2013 Nov 12;9(11):5059-69. doi: 10.1021/ct400487e. Epub 2013 Oct 21. J Chem Theory Comput. 2013. PMID: 26583420

6

Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies.

Cui Q, Hernandez R, Mason SE, Frauenheim T, Pedersen JA, Geiger F. Cui Q, et al. J Phys Chem B. 2016 Aug 4;120(30):7297-306. doi: 10.1021/acs.jpcb.6b03976. Epub 2016 Jul 13. J Phys Chem B. 2016. PMID: 27388532

7

Quantifying the Electrostatics of Polycation-Lipid Bilayer Interactions.

Troiano JM, McGeachy AC, Olenick LL, Fang D, Liang D, Hong J, Kuech TR, Caudill ER, Pedersen JA, Cui Q, Geiger FM. Troiano JM, et al. Among authors: cui q. J Am Chem Soc. 2017 Apr 26;139(16):5808-5816. doi: 10.1021/jacs.6b12887. Epub 2017 Apr 14. J Am Chem Soc. 2017. PMID: 28358209

8

Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations.

Liang D , Hong J , Fang D , Bennett JW , Mason SE , Hamers RJ , Cui Q . Liang D , et al. Among authors: cui q. Phys Chem Chem Phys. 2018 Jan 31;20(5):3349-3362. doi: 10.1039/c7cp06709g. Phys Chem Chem Phys. 2018. PMID: 29226924

9

Hydrogen-Bond Networks near Supported Lipid Bilayers from Vibrational Sum Frequency Generation Experiments and Atomistic Simulations.

Doǧangün M, Ohno PE, Liang D, McGeachy AC, Bé AG, Dalchand N, Li T, Cui Q, Geiger FM. Doǧangün M, et al. Among authors: cui q. J Phys Chem B. 2018 May 10;122(18):4870-4879. doi: 10.1021/acs.jpcb.8b02138. Epub 2018 Apr 30. J Phys Chem B. 2018. PMID: 29688732

10

Counting charges on membrane-bound peptides.

McGeachy AC, Caudill ER, Liang D, Cui Q, Pedersen JA, Geiger FM. McGeachy AC, et al. Among authors: cui q. Chem Sci. 2018 Apr 3;9(18):4285-4298. doi: 10.1039/c8sc00804c. eCollection 2018 May 14. Chem Sci. 2018. PMID: 29780560 Free PMC article.

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