Tribello GA - Search Results

1

Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution.

McAllister M, Smyth M, Gu B, Tribello GA, Kohanoff J. McAllister M, et al. Among authors: tribello ga. J Phys Chem Lett. 2015 Aug 6;6(15):3091-7. doi: 10.1021/acs.jpclett.5b01011. Epub 2015 Jul 24. J Phys Chem Lett. 2015. PMID: 26267207

2

Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map.

Ardevol A, Tribello GA, Ceriotti M, Parrinello M. Ardevol A, et al. Among authors: tribello ga. J Chem Theory Comput. 2015 Mar 10;11(3):1086-93. doi: 10.1021/ct500950z. J Chem Theory Comput. 2015. PMID: 26579758

3

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite.

Sosso GC, Li T, Donadio D, Tribello GA, Michaelides A. Sosso GC, et al. Among authors: tribello ga. J Phys Chem Lett. 2016 Jul 7;7(13):2350-5. doi: 10.1021/acs.jpclett.6b01013. Epub 2016 Jun 10. J Phys Chem Lett. 2016. PMID: 27269363 Free PMC article.

4

Interactions between low energy electrons and DNA: a perspective from first-principles simulations.

Kohanoff J, McAllister M, Tribello GA, Gu B. Kohanoff J, et al. Among authors: tribello ga. J Phys Condens Matter. 2017 Sep 27;29(38):383001. doi: 10.1088/1361-648X/aa79e3. Epub 2017 Jun 15. J Phys Condens Matter. 2017. PMID: 28617676

5

Using Intrinsic Surfaces To Calculate the Free-Energy Change When Nanoparticles Adsorb on Membranes.

Klug J, Triguero C, Del Pópolo MG, Tribello GA. Klug J, et al. Among authors: tribello ga. J Phys Chem B. 2018 Jun 21;122(24):6417-6422. doi: 10.1021/acs.jpcb.8b03661. Epub 2018 Jun 12. J Phys Chem B. 2018. PMID: 29851486

6

Solvation Effects on Dissociative Electron Attachment to Thymine.

McAllister M, Kazemigazestane N, Henry LT, Gu B, Fabrikant I, Tribello GA, Kohanoff J. McAllister M, et al. Among authors: tribello ga. J Phys Chem B. 2019 Feb 21;123(7):1537-1544. doi: 10.1021/acs.jpcb.8b11621. Epub 2019 Feb 12. J Phys Chem B. 2019. PMID: 30694675

7

Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals.

Ferguson M, Moyano MS, Tribello GA, Crawford DE, Bringa EM, James SL, Kohanoff J, Del Pópolo MG. Ferguson M, et al. Among authors: tribello ga. Chem Sci. 2019 Jan 23;10(10):2924-2929. doi: 10.1039/c8sc04971h. eCollection 2019 Mar 14. Chem Sci. 2019. PMID: 30996870 Free PMC article.

8

Using Data-Reduction Techniques to Analyze Biomolecular Trajectories.

Tribello GA, Gasparotto P. Tribello GA, et al. Methods Mol Biol. 2019;2022:453-502. doi: 10.1007/978-1-4939-9608-7_19. Methods Mol Biol. 2019. PMID: 31396915

9

Can molecular dynamics be used to simulate biomolecular recognition?

Lüking M, van der Spoel D, Elf J, Tribello GA. Lüking M, et al. Among authors: tribello ga. J Chem Phys. 2023 May 14;158(18):184106. doi: 10.1063/5.0146899. J Chem Phys. 2023. PMID: 37158325

10

Surface energy and surface proton order of ice Ih.

Pan D, Liu LM, Tribello GA, Slater B, Michaelides A, Wang E. Pan D, et al. Among authors: tribello ga. Phys Rev Lett. 2008 Oct 10;101(15):155703. doi: 10.1103/PhysRevLett.101.155703. Epub 2008 Oct 9. Phys Rev Lett. 2008. PMID: 18999613 Free article.

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