Tribello GA - Search Results

1

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

2

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

3

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

4

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.

5

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.

6

Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies.

Evans R, Hovan L, Tribello GA, Cossins BP, Estarellas C, Gervasio FL. Evans R, et al. Among authors: tribello ga. J Chem Theory Comput. 2020 Jul 14;16(7):4641-4654. doi: 10.1021/acs.jctc.0c00075. Epub 2020 Jun 4. J Chem Theory Comput. 2020. PMID: 32427471 Free PMC article.

7

Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps.

Giberti F, Tribello GA, Ceriotti M. Giberti F, et al. Among authors: tribello ga. J Chem Theory Comput. 2021 Jun 8;17(6):3292-3308. doi: 10.1021/acs.jctc.0c01177. Epub 2021 May 18. J Chem Theory Comput. 2021. PMID: 34003008

8

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

9

Transient Polymorphism in NaCl.

Giberti F, Tribello GA, Parrinello M. Giberti F, et al. Among authors: tribello ga. J Chem Theory Comput. 2013 Jun 11;9(6):2526-30. doi: 10.1021/ct4002027. Epub 2013 May 8. J Chem Theory Comput. 2013. PMID: 26583849

10

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit.

Cheng B, Tribello GA, Ceriotti M. Cheng B, et al. Among authors: tribello ga. J Chem Phys. 2017 Sep 14;147(10):104707. doi: 10.1063/1.4997180. J Chem Phys. 2017. PMID: 28915742

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