Barnes GL - Search Results

1

AutoMeKin2021: An open-source program for automated reaction discovery.

Martínez-Núñez E, Barnes GL, Glowacki DR, Kopec S, Peláez D, Rodríguez A, Rodríguez-Fernández R, Shannon RJ, Stewart JJP, Tahoces PG, Vazquez SA. Martínez-Núñez E, et al. Among authors: barnes gl. J Comput Chem. 2021 Oct 30;42(28):2036-2048. doi: 10.1002/jcc.26734. Epub 2021 Aug 13. J Comput Chem. 2021. PMID: 34387374 Free article.

2

A Computational Comparison of Soft Landing of α-Helical vs Globular Peptides.

Frederickson D, McDonough M, Barnes GL. Frederickson D, et al. Among authors: barnes gl. J Phys Chem B. 2018 Oct 18;122(41):9549-9554. doi: 10.1021/acs.jpcb.8b06232. Epub 2018 Aug 30. J Phys Chem B. 2018. PMID: 30134109

3

Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment.

Pratihar S, Barnes GL, Laskin J, Hase WL. Pratihar S, et al. Among authors: barnes gl. J Phys Chem Lett. 2016 Aug 18;7(16):3142-50. doi: 10.1021/acs.jpclett.6b00978. Epub 2016 Aug 2. J Phys Chem Lett. 2016. PMID: 27467857

4

Model Simulations of the Thermal Dissociation of the TIK(H⁺)₂ Tripeptide: Mechanisms and Kinetic Parameters.

Homayoon Z, Pratihar S, Dratz E, Snider R, Spezia R, Barnes GL, Macaluso V, Martin Somer A, Hase WL. Homayoon Z, et al. Among authors: barnes gl. J Phys Chem A. 2016 Oct 27;120(42):8211-8227. doi: 10.1021/acs.jpca.6b05884. Epub 2016 Oct 13. J Phys Chem A. 2016. PMID: 27673376

5

Exploring the Effects of Methylation on the CID of Protonated Lysine: A Combined Experimental and Computational Approach.

Lucas K, Chen A, Schubmehl M, Kolonko KJ, Barnes GL. Lucas K, et al. Among authors: barnes gl. J Am Soc Mass Spectrom. 2021 Nov 3;32(11):2675-2684. doi: 10.1021/jasms.1c00225. Epub 2021 Oct 22. J Am Soc Mass Spectrom. 2021. PMID: 34677967

6

Direct Chemical Dynamics Simulations.

Pratihar S, Ma X, Homayoon Z, Barnes GL, Hase WL. Pratihar S, et al. Among authors: barnes gl. J Am Chem Soc. 2017 Mar 15;139(10):3570-3590. doi: 10.1021/jacs.6b12017. Epub 2017 Feb 9. J Am Chem Soc. 2017. PMID: 28118543

7

Modeling the Effects of O-Sulfonation on the CID of Serine.

Lucas K, Barnes GL. Lucas K, et al. Among authors: barnes gl. J Am Soc Mass Spectrom. 2020 May 6;31(5):1114-1122. doi: 10.1021/jasms.0c00037. Epub 2020 Mar 30. J Am Soc Mass Spectrom. 2020. PMID: 32202776

8

NH4(+) + CH4 gas phase collisions as a possible analogue to protonated peptide/surface induced dissociation.

Barnes GL, Hase WL. Barnes GL, et al. J Phys Chem A. 2009 Jul 2;113(26):7543-7. doi: 10.1021/jp900919s. J Phys Chem A. 2009. PMID: 19358592

9

Energy and temperature dependent dissociation of the Na(+)(benzene)1,2 clusters: importance of anharmonicity.

Kolakkandy S, Paul AK, Pratihar S, Kohale SC, Barnes GL, Wang H, Hase WL. Kolakkandy S, et al. Among authors: barnes gl. J Chem Phys. 2015 Jan 28;142(4):044306. doi: 10.1063/1.4906232. J Chem Phys. 2015. PMID: 25637986

10

Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces.

Martin Somer A, Macaluso V, Barnes GL, Yang L, Pratihar S, Song K, Hase WL, Spezia R. Martin Somer A, et al. Among authors: barnes gl. J Am Soc Mass Spectrom. 2020 Jan 2;31(1):2-24. doi: 10.1021/jasms.9b00062. Epub 2019 Dec 10. J Am Soc Mass Spectrom. 2020. PMID: 32881516

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