Cisneros GA - Search Results

1

Impact of Remdesivir Incorporation along the Primer Strand on SARS-CoV-2 RNA-Dependent RNA Polymerase.

Naseem-Khan S, Berger MB, Leddin EM, Maghsoud Y, Cisneros GA. Naseem-Khan S, et al. Among authors: cisneros ga. J Chem Inf Model. 2022 May 23;62(10):2456-2465. doi: 10.1021/acs.jcim.2c00201. Epub 2022 Apr 18. J Chem Inf Model. 2022. PMID: 35435671 Free PMC article.

2

Characterization of Nine Cancer-Associated Variants in Human DNA Polymerase κ.

Antczak NM, Walker AR, Stern HR, Leddin EM, Palad C, Coulther TA, Swett RJ, Cisneros GA, Beuning PJ. Antczak NM, et al. Among authors: cisneros ga. Chem Res Toxicol. 2018 Aug 20;31(8):697-711. doi: 10.1021/acs.chemrestox.8b00055. Epub 2018 Jul 30. Chem Res Toxicol. 2018. PMID: 30004685 Free PMC article.

3

Selectivity and Promiscuity in TET-Mediated Oxidation of 5-Methylcytosine in DNA and RNA.

DeNizio JE, Liu MY, Leddin EM, Cisneros GA, Kohli RM. DeNizio JE, et al. Among authors: cisneros ga. Biochemistry. 2019 Feb 5;58(5):411-421. doi: 10.1021/acs.biochem.8b00912. Epub 2018 Nov 14. Biochemistry. 2019. PMID: 30387995 Free PMC article.

4

Comparison of DNA and RNA substrate effects on TET2 structure.

Leddin EM, Cisneros GA. Leddin EM, et al. Among authors: cisneros ga. Adv Protein Chem Struct Biol. 2019;117:91-112. doi: 10.1016/bs.apcsb.2019.05.002. Epub 2019 Jun 11. Adv Protein Chem Struct Biol. 2019. PMID: 31564308 Free PMC article.

5

Combining Evolutionary Conservation and Quantum Topological Analyses To Determine Quantum Mechanics Subsystems for Biomolecular Quantum Mechanics/Molecular Mechanics Simulations.

Hix MA, Leddin EM, Cisneros GA. Hix MA, et al. Among authors: cisneros ga. J Chem Theory Comput. 2021 Jul 13;17(7):4524-4537. doi: 10.1021/acs.jctc.1c00313. Epub 2021 Jun 4. J Chem Theory Comput. 2021. PMID: 34087064 Free PMC article.

6

Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials.

Nochebuena J, Naseem-Khan S, Cisneros GA. Nochebuena J, et al. Among authors: cisneros ga. Wiley Interdiscip Rev Comput Mol Sci. 2021 Jul-Aug;11(4):e1515. doi: 10.1002/wcms.1515. Epub 2021 Jan 12. Wiley Interdiscip Rev Comput Mol Sci. 2021. PMID: 34367343 Free PMC article.

7

Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families.

Berger MB, Walker AR, Vázquez-Montelongo EA, Cisneros GA. Berger MB, et al. Among authors: cisneros ga. 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.

8

Improvement of the Gaussian Electrostatic Model by separate fitting of Coulomb and exchange-repulsion densities and implementation of a new dispersion term.

Naseem-Khan S, Piquemal JP, Cisneros GA. Naseem-Khan S, et al. Among authors: cisneros ga. J Chem Phys. 2021 Nov 21;155(19):194103. doi: 10.1063/5.0072380. J Chem Phys. 2021. PMID: 34800949 Free PMC article.

9

Molecular basis for the initiation of DNA primer synthesis.

Li AWH, Zabrady K, Bainbridge LJ, Zabrady M, Naseem-Khan S, Berger MB, Kolesar P, Cisneros GA, Doherty AJ. Li AWH, et al. Among authors: cisneros ga. Nature. 2022 May;605(7911):767-773. doi: 10.1038/s41586-022-04695-0. Epub 2022 May 4. Nature. 2022. PMID: 35508653 Free PMC article.

10

Development of the Quantum-Inspired SIBFA Many-Body Polarizable Force Field: Enabling Condensed-Phase Molecular Dynamics Simulations.

Naseem-Khan S, Lagardère L, Narth C, Cisneros GA, Ren P, Gresh N, Piquemal JP. Naseem-Khan S, et al. Among authors: cisneros ga. J Chem Theory Comput. 2022 Jun 14;18(6):3607-3621. doi: 10.1021/acs.jctc.2c00029. Epub 2022 May 16. J Chem Theory Comput. 2022. PMID: 35575306 Free PMC article.

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