Mchaourab HS - Search Results

1

Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and Limitations.

Brown BP, Stein RA, Meiler J, Mchaourab HS. Brown BP, et al. Among authors: mchaourab hs. J Chem Theory Comput. 2024 Feb 13;20(3):1434-1447. doi: 10.1021/acs.jctc.3c01081. Epub 2024 Jan 12. J Chem Theory Comput. 2024. PMID: 38215214 Free PMC article.

2

Approximating conformational Boltzmann distributions with AlphaFold2 predictions.

Brown BP, Stein RA, Meiler J, Mchaourab H. Brown BP, et al. bioRxiv [Preprint]. 2023 Aug 7:2023.08.06.552168. doi: 10.1101/2023.08.06.552168. bioRxiv. 2023. Update in: J Chem Theory Comput. 2024 Feb 13;20(3):1434-1447. doi: 10.1021/acs.jctc.3c01081 PMID: 37609301 Free PMC article. Updated. Preprint.

3

Rosetta Energy Analysis of AlphaFold2 models: Point Mutations and Conformational Ensembles.

Stein RA, Mchaourab HS. Stein RA, et al. Among authors: mchaourab hs. bioRxiv [Preprint]. 2024 Jan 27:2023.09.05.556364. doi: 10.1101/2023.09.05.556364. bioRxiv. 2024. PMID: 37732281 Free PMC article. Preprint.

4

Defining unique structural features in the MAFA and MAFB transcription factors that control Insulin gene activity.

Cha J, Tong X, Coate KC, Guo M, Liu JH, Reynolds G, Walker EM, Stein RA, Mchaourab H, Stein R. Cha J, et al. bioRxiv [Preprint]. 2024 May 29:2023.08.23.554429. doi: 10.1101/2023.08.23.554429. bioRxiv. 2024. Update in: J Biol Chem. 2024 Dec;300(12):107938. doi: 10.1016/j.jbc.2024.107938 PMID: 37662349 Free PMC article. Updated. Preprint.

5

Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.

Tang Q, Sinclair M, Hasdemir HS, Stein R, Karakas E, Tajkhorshid E, Mchaourab H. Tang Q, et al. Among authors: mchaourab h. bioRxiv [Preprint]. 2023 Jul 26:2023.05.29.541986. doi: 10.1101/2023.05.29.541986. bioRxiv. 2023. Update in: Nat Commun. 2023 Nov 8;14(1):7184. doi: 10.1038/s41467-023-42937-5 PMID: 37398337 Free PMC article. Updated. Preprint.

6

Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.

Zhang R, Jagessar KL, Brownd M, Polasa A, Stein RA, Moradi M, Karakas E, Mchaourab HS. Zhang R, et al. Among authors: mchaourab hs. Nat Commun. 2024 Oct 20;15(1):9055. doi: 10.1038/s41467-024-53420-0. Nat Commun. 2024. PMID: 39428489 Free PMC article.

7

Alternating access of a bacterial homolog of neurotransmitter: sodium symporters determined from AlphaFold2 ensembles and DEER spectroscopy.

Schwartz AC, Stein RA, Gil-Iturbe E, Quick M, Mchaourab HS. Schwartz AC, et al. Among authors: mchaourab hs. Proc Natl Acad Sci U S A. 2024 Oct;121(40):e2406063121. doi: 10.1073/pnas.2406063121. Epub 2024 Sep 20. Proc Natl Acad Sci U S A. 2024. PMID: 39302996

8

Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.

Yang Z, Stein RA, Pink M, Madzelan P, Ngendahimana T, Rajca S, Wilson MA, Eaton SS, Eaton GR, Mchaourab HS, Rajca A. Yang Z, et al. Among authors: mchaourab hs. J Am Chem Soc. 2023 Nov 29;145(47):25726-25736. doi: 10.1021/jacs.3c09184. Epub 2023 Nov 14. J Am Chem Soc. 2023. PMID: 37963181 Free PMC article.

9

Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.

Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS. Tang Q, et al. Among authors: mchaourab hs. Nat Commun. 2023 Nov 8;14(1):7184. doi: 10.1038/s41467-023-42937-5. Nat Commun. 2023. PMID: 37938578 Free PMC article.

10

Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.

Yang Z, Stein RA, Pink M, Madzelan P, Ngendahimana T, Rajca S, Wilson MA, Eaton SS, Eaton GR, Mchaourab HS, Rajca A. Yang Z, et al. Among authors: mchaourab hs. bioRxiv [Preprint]. 2023 Aug 23:2023.08.22.554361. doi: 10.1101/2023.08.22.554361. bioRxiv. 2023. Update in: J Am Chem Soc. 2023 Nov 29;145(47):25726-25736. doi: 10.1021/jacs.3c09184 PMID: 37662277 Free PMC article. Updated. Preprint.

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