Kalvet I - Search Results

1

Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.

Kalvet I, Ortmayer M, Zhao J, Crawshaw R, Ennist NM, Levy C, Roy A, Green AP, Baker D. Kalvet I, et al. J Am Chem Soc. 2023 Jul 5;145(26):14307-14315. doi: 10.1021/jacs.3c02742. Epub 2023 Jun 21. J Am Chem Soc. 2023. PMID: 37341421 Free PMC article.

2

Fundamental studies and development of nickel-catalyzed trifluoromethylthiolation of aryl chlorides: active catalytic species and key roles of ligand and traceless MeCN additive revealed.

Yin G, Kalvet I, Englert U, Schoenebeck F. Yin G, et al. Among authors: kalvet i. J Am Chem Soc. 2015 Apr 1;137(12):4164-72. doi: 10.1021/jacs.5b00538. Epub 2015 Mar 19. J Am Chem Soc. 2015. PMID: 25790253

3

Modeling protein-small molecule conformational ensembles with ChemNet.

Anishchenko I, Kipnis Y, Kalvet I, Zhou G, Krishna R, Pellock SJ, Lauko A, Lee GR, An L, Dauparas J, DiMaio F, Baker D. Anishchenko I, et al. Among authors: kalvet i. bioRxiv [Preprint]. 2024 Sep 25:2024.09.25.614868. doi: 10.1101/2024.09.25.614868. bioRxiv. 2024. PMID: 39386615 Free PMC article. Preprint.

4

Computational design of serine hydrolases.

Lauko A, Pellock SJ, Anischanka I, Sumida KH, Juergens D, Ahern W, Shida A, Hunt A, Kalvet I, Norn C, Humphreys IR, Jamieson C, Kang A, Brackenbrough E, Bera AK, Sankaran B, Houk KN, Baker D. Lauko A, et al. Among authors: kalvet i. bioRxiv [Preprint]. 2024 Aug 30:2024.08.29.610411. doi: 10.1101/2024.08.29.610411. bioRxiv. 2024. PMID: 39257749 Free PMC article. Preprint.

5

Generalized biomolecular modeling and design with RoseTTAFold All-Atom.

Krishna R, Wang J, Ahern W, Sturmfels P, Venkatesh P, Kalvet I, Lee GR, Morey-Burrows FS, Anishchenko I, Humphreys IR, McHugh R, Vafeados D, Li X, Sutherland GA, Hitchcock A, Hunter CN, Kang A, Brackenbrough E, Bera AK, Baek M, DiMaio F, Baker D. Krishna R, et al. Among authors: kalvet i. Science. 2024 Apr 19;384(6693):eadl2528. doi: 10.1126/science.adl2528. Epub 2024 Apr 19. Science. 2024. PMID: 38452047 Free article.

6

Improving Protein Expression, Stability, and Function with ProteinMPNN.

Sumida KH, Núñez-Franco R, Kalvet I, Pellock SJ, Wicky BIM, Milles LF, Dauparas J, Wang J, Kipnis Y, Jameson N, Kang A, De La Cruz J, Sankaran B, Bera AK, Jiménez-Osés G, Baker D. Sumida KH, et al. Among authors: kalvet i. J Am Chem Soc. 2024 Jan 24;146(3):2054-2061. doi: 10.1021/jacs.3c10941. Epub 2024 Jan 9. J Am Chem Soc. 2024. PMID: 38194293 Free PMC article.

7

Corrigendum: Rapid Room-Temperature, Chemoselective C

_{sp^{2}}

-C

_{sp^{2}}

Coupling of Poly(pseudo)halogenated Arenes Enabled by Palladium(I) Catalysis in Air.

Kalvet I, Magnin G, Schoenebeck F. Kalvet I, et al. Angew Chem Int Ed Engl. 2020 May 11;59(20):7643. doi: 10.1002/anie.202002526. Angew Chem Int Ed Engl. 2020. PMID: 32364310 Free PMC article. No abstract available.

8

Corrigendum: Palladium(I) Dimer Enabled Extremely Rapid and Chemoselective Alkylation of Aryl Bromides over Triflates and Chlorides in Air.

Kalvet I, Sperger T, Scattolin T, Magnin G, Schoenebeck F. Kalvet I, et al. Angew Chem Int Ed Engl. 2020 May 11;59(20):7643. doi: 10.1002/anie.202002528. Angew Chem Int Ed Engl. 2020. PMID: 32364309 Free PMC article. No abstract available.

9

Selective ortho-Functionalization of Adamantylarenes Enabled by Dispersion and an Air-Stable Palladium(I) Dimer.

Kalvet I, Deckers K, Funes-Ardoiz I, Magnin G, Sperger T, Kremer M, Schoenebeck F. Kalvet I, et al. Angew Chem Int Ed Engl. 2020 May 11;59(20):7721-7725. doi: 10.1002/anie.202001326. Epub 2020 Mar 17. Angew Chem Int Ed Engl. 2020. PMID: 32065717 Free PMC article.

10

Site-Selective, Modular Diversification of Polyhalogenated Aryl Fluorosulfates (ArOSO₂ F) Enabled by an Air-Stable Pd^I Dimer.

Mendel M, Kalvet I, Hupperich D, Magnin G, Schoenebeck F. Mendel M, et al. Among authors: kalvet i. Angew Chem Int Ed Engl. 2020 Jan 27;59(5):2115-2119. doi: 10.1002/anie.201911465. Epub 2019 Dec 16. Angew Chem Int Ed Engl. 2020. PMID: 31733009 Free PMC article.

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