McDonald AR - Search Results

1

Undergraduate structural biology education: A shift from users to developers of computation and simulation tools.

McDonald AR, Roberts R, Koeppe JR, Hall BL. McDonald AR, et al. Curr Opin Struct Biol. 2022 Feb;72:39-45. doi: 10.1016/j.sbi.2021.07.012. Epub 2021 Aug 27. Curr Opin Struct Biol. 2022. PMID: 34461592 Free article. Review.

2

Recommendations for Improving End-User Programming Education: A Case Study with Undergraduate Chemistry Students.

Fuchs W, McDonald AR, Gautam A, Kazerouni AM. Fuchs W, et al. Among authors: mcdonald ar. J Chem Educ. 2024 Jul 5;101(8):3085-3096. doi: 10.1021/acs.jchemed.4c00219. eCollection 2024 Aug 13. J Chem Educ. 2024. PMID: 39157431 Free PMC article.

3

The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry.

Anderson K, Arradondo S, Ball KA, Bruce C, Gomez MA, He K, Hendrickson H, Madison L, McDonald AR, Nagan MC, Scott CE, Soto P, Tomlinson A, Varner M, Parish C. Anderson K, et al. Among authors: mcdonald ar. J Chem Inf Model. 2022 Dec 26;62(24):6316-6322. doi: 10.1021/acs.jcim.2c00566. Epub 2022 Aug 10. J Chem Inf Model. 2022. PMID: 35946899 Review.

4

Computational Models for Activated Human MEK1: Identification of Key Active Site Residues and Interactions.

Sabsay KR, Lee RT, Ravatt LM, Oza JP, McDonald AR. Sabsay KR, et al. Among authors: mcdonald ar. J Chem Inf Model. 2019 May 28;59(5):2383-2393. doi: 10.1021/acs.jcim.8b00989. Epub 2019 Mar 27. J Chem Inf Model. 2019. PMID: 30879307

5

Intramolecular Diels-Alder Reaction of a Biphenyl Group in a Strained meta-Quaterphenylene Acetylene.

Mittal K, Pham AV, Davis AG, Richardson AD, De Hoe C, Dean RT, Baird V, McDonald AR, Frantz DK. Mittal K, et al. Among authors: mcdonald ar. J Org Chem. 2024 Jul 5;89(13):9620-9626. doi: 10.1021/acs.joc.2c02280. Epub 2023 Jan 26. J Org Chem. 2024. PMID: 36701431 Free PMC article.

6

A Structural and Functional Mimic of P680.

Biswas S, Kelly OR, Twamley B, McDonald AR. Biswas S, et al. Among authors: mcdonald ar. Angew Chem Int Ed Engl. 2024 Oct 23:e202415688. doi: 10.1002/anie.202415688. Online ahead of print. Angew Chem Int Ed Engl. 2024. PMID: 39440919

7

Preparation and characterization of Mn^IIMn^III complexes with relevance to class Ib ribonucleotide reductases.

Doyle LM, Bienenmann RLM, Gericke R, Xu S, Farquhar ER, Que L Jr, McDonald AR. Doyle LM, et al. Among authors: mcdonald ar. J Inorg Biochem. 2024 Aug;257:112583. doi: 10.1016/j.jinorgbio.2024.112583. Epub 2024 May 5. J Inorg Biochem. 2024. PMID: 38733704 Free article.

8

A Co^II-Hydroxide Complex That Converts Directly to a Co^II-Acetamide during Catalytic Nitrile Hydration.

Heim P, Biswas S, Lopez H, Gericke R, Twamley B, McDonald AR. Heim P, et al. Among authors: mcdonald ar. Inorg Chem. 2024 Apr 29;63(17):7896-7902. doi: 10.1021/acs.inorgchem.4c00754. Epub 2024 Apr 12. Inorg Chem. 2024. PMID: 38607349 Free PMC article.

9

Class Ib Ribonucleotide Reductases: Activation of a Peroxido-Mn^IIMn^III to Generate a Reactive Oxo-Mn^IIIMn^IV Oxidant.

Doyle L, Magherusan A, Xu S, Murphy K, Farquhar ER, Molton F, Duboc C, Que L Jr, McDonald AR. Doyle L, et al. Among authors: mcdonald ar. Inorg Chem. 2024 Jan 29;63(4):2194-2203. doi: 10.1021/acs.inorgchem.3c04163. Epub 2024 Jan 17. Inorg Chem. 2024. PMID: 38231137 Free PMC article.

10

A Developmentally Informed Approach to Address Mass Firearm Violence.

Sward A, Zik J, McDonald AR, Niep L, Berkowitz S. Sward A, et al. Among authors: mcdonald ar. Pediatr Clin North Am. 2023 Dec;70(6):1171-1182. doi: 10.1016/j.pcl.2023.06.009. Epub 2023 Aug 9. Pediatr Clin North Am. 2023. PMID: 37865438 Review.

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