Duarte F - Search Results

1

Computing organic stereoselectivity - from concepts to quantitative calculations and predictions.

Peng Q, Duarte F, Paton RS. Peng Q, et al. Among authors: duarte f. Chem Soc Rev. 2016 Nov 7;45(22):6093-6107. doi: 10.1039/c6cs00573j. Chem Soc Rev. 2016. PMID: 27722685

2

Mechanisms of histone lysine-modifying enzymes: A computational perspective on the role of the protein environment.

Cortopassi WA, Kumar K, Duarte F, Pimentel AS, Paton RS. Cortopassi WA, et al. Among authors: duarte f. J Mol Graph Model. 2016 Jun;67:69-84. doi: 10.1016/j.jmgm.2016.04.011. Epub 2016 May 4. J Mol Graph Model. 2016. PMID: 27258188

3

Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization.

Duarte F, Paton RS. Duarte F, et al. J Am Chem Soc. 2017 Jul 5;139(26):8886-8896. doi: 10.1021/jacs.7b02468. Epub 2017 Jun 21. J Am Chem Soc. 2017. PMID: 28582626

4

Cation-π interactions in protein-ligand binding: theory and data-mining reveal different roles for lysine and arginine.

Kumar K, Woo SM, Siu T, Cortopassi WA, Duarte F, Paton RS. Kumar K, et al. Among authors: duarte f. Chem Sci. 2018 Jan 31;9(10):2655-2665. doi: 10.1039/c7sc04905f. eCollection 2018 Mar 14. Chem Sci. 2018. PMID: 29719674 Free PMC article.

5

Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored by NH···π Interactions.

Ascough DMH, Duarte F, Paton RS. Ascough DMH, et al. Among authors: duarte f. J Am Chem Soc. 2018 Dec 5;140(48):16740-16748. doi: 10.1021/jacs.8b09874. Epub 2018 Nov 21. J Am Chem Soc. 2018. PMID: 30338998

6

Rationalizing the Activity of an "Artificial Diels-Alderase": Establishing Efficient and Accurate Protocols for Calculating Supramolecular Catalysis.

Young TA, Martí-Centelles V, Wang J, Lusby PJ, Duarte F. Young TA, et al. Among authors: duarte f. J Am Chem Soc. 2020 Jan 22;142(3):1300-1310. doi: 10.1021/jacs.9b10302. Epub 2020 Jan 10. J Am Chem Soc. 2020. PMID: 31852191

7

Harnessing Sulfinyl Nitrenes: A Unified One-Pot Synthesis of Sulfoximines and Sulfonimidamides.

Davies TQ, Tilby MJ, Ren J, Parker NA, Skolc D, Hall A, Duarte F, Willis MC. Davies TQ, et al. Among authors: duarte f. J Am Chem Soc. 2020 Sep 9;142(36):15445-15453. doi: 10.1021/jacs.0c06986. Epub 2020 Aug 25. J Am Chem Soc. 2020. PMID: 32841007 Free PMC article.

8

Synergistic Noncovalent Catalysis Facilitates Base-Free Michael Addition.

Wang J, Young TA, Duarte F, Lusby PJ. Wang J, et al. Among authors: duarte f. J Am Chem Soc. 2020 Oct 14;142(41):17743-17750. doi: 10.1021/jacs.0c08639. Epub 2020 Sep 29. J Am Chem Soc. 2020. PMID: 32927950

9

Collective Synthesis of Illudalane Sesquiterpenes via Cascade Inverse Electron Demand (4 + 2) Cycloadditions of Thiophene S,S-Dioxides.

Park KHK, Frank N, Duarte F, Anderson EA. Park KHK, et al. Among authors: duarte f. J Am Chem Soc. 2022 Jun 8;144(22):10017-10024. doi: 10.1021/jacs.2c03304. Epub 2022 May 24. J Am Chem Soc. 2022. PMID: 35609003 Free PMC article.

10

Bimolecular Sandwich Aggregates of Porphyrin Nanorings.

Gotfredsen H, Hergenhahn J, Duarte F, Claridge TDW, Anderson HL. Gotfredsen H, et al. Among authors: duarte f. J Am Chem Soc. 2024 Sep 11;146(36):25232-25244. doi: 10.1021/jacs.4c09267. Epub 2024 Aug 26. J Am Chem Soc. 2024. PMID: 39186461 Free PMC article.

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