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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2018 | 1 |
2019 | 1 |
2020 | 1 |
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2022 | 1 |
2023 | 2 |
2024 | 0 |
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Page 1
Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families.
Phys Chem Chem Phys. 2021 Oct 13;23(39):22227-22240. doi: 10.1039/d1cp03800a.
Phys Chem Chem Phys. 2021.
PMID: 34586107
Free PMC article.
Review.
Current Status of AMOEBA-IL: A Multipolar/Polarizable Force Field for Ionic Liquids.
Vázquez-Montelongo EA, Vázquez-Cervantes JE, Cisneros GA.
Vázquez-Montelongo EA, et al.
Int J Mol Sci. 2020 Jan 21;21(3):697. doi: 10.3390/ijms21030697.
Int J Mol Sci. 2020.
PMID: 31973103
Free PMC article.
Review.
Item in Clipboard
Unleashing the Potential of 1,3-Diketone Analogues as Selective LH2 Inhibitors.
Lee J, Guo HF, Wang S, Maghsoud Y, Vázquez-Montelongo EA, Jing Z, Sammons RM, Cho EJ, Ren P, Cisneros GA, Kurie JM, Dalby KN.
Lee J, et al. Among authors: vazquez montelongo ea.
ACS Med Chem Lett. 2023 Sep 22;14(10):1396-1403. doi: 10.1021/acsmedchemlett.3c00305. eCollection 2023 Oct 12.
ACS Med Chem Lett. 2023.
PMID: 37849534
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GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber.
Harris JA, Liu R, Martins de Oliveira V, Vázquez-Montelongo EA, Henderson JA, Shen J.
Harris JA, et al. Among authors: vazquez montelongo ea.
J Chem Theory Comput. 2022 Dec 13;18(12):7510-7527. doi: 10.1021/acs.jctc.2c00586. Epub 2022 Nov 15.
J Chem Theory Comput. 2022.
PMID: 36377980
Free PMC article.
Item in Clipboard
LICHEM 1.1: Recent Improvements and New Capabilities.
Gökcan H, Vázquez-Montelongo EA, Cisneros GA.
Gökcan H, et al. Among authors: vazquez montelongo ea.
J Chem Theory Comput. 2019 May 14;15(5):3056-3065. doi: 10.1021/acs.jctc.9b00028. Epub 2019 Apr 2.
J Chem Theory Comput. 2019.
PMID: 30908049
Free PMC article.
Item in Clipboard
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.
Maghsoud Y, Vázquez-Montelongo EA, Yang X, Liu C, Jing Z, Lee J, Harger M, Smith AK, Espinoza M, Guo HF, Kurie JM, Dalby KN, Ren P, Cisneros GA.
Maghsoud Y, et al. Among authors: vazquez montelongo ea.
J Chem Inf Model. 2023 Feb 13;63(3):986-1001. doi: 10.1021/acs.jcim.2c01448. Epub 2023 Jan 30.
J Chem Inf Model. 2023.
PMID: 36779232
Free PMC article.
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Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF₄].
Vázquez-Montelongo EA, Vázquez-Cervantes JE, Cisneros GA.
Vázquez-Montelongo EA, et al.
Molecules. 2018 Oct 31;23(11):2830. doi: 10.3390/molecules23112830.
Molecules. 2018.
PMID: 30384470
Free PMC article.
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