Schneebeli ST - Search Results

1

Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations.

Liao C, Esai Selvan M, Zhao J, Slimovitch JL, Schneebeli ST, Shelley M, Shelley JC, Li J. Liao C, et al. Among authors: schneebeli st. J Phys Chem B. 2015 Aug 20;119(33):10390-8. doi: 10.1021/acs.jpcb.5b03254. Epub 2015 Aug 11. J Phys Chem B. 2015. PMID: 26208115

2

IDSite: An accurate approach to predict P450-mediated drug metabolism.

Li J, Schneebeli ST, Bylund J, Farid R, Friesner RA. Li J, et al. Among authors: schneebeli st. J Chem Theory Comput. 2011 Nov 8;7(11):3829-3845. doi: 10.1021/ct200462q. J Chem Theory Comput. 2011. PMID: 22247702 Free PMC article.

3

Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis.

Liu X, Weinert ZJ, Sharafi M, Liao C, Li J, Schneebeli ST. Liu X, et al. Among authors: schneebeli st. Angew Chem Int Ed Engl. 2015 Oct 19;54(43):12772-6. doi: 10.1002/anie.201506793. Epub 2015 Sep 9. Angew Chem Int Ed Engl. 2015. PMID: 26349630

4

Capturing the multiscale dynamics of membrane protein complexes with all-atom, mixed-resolution, and coarse-grained models.

Liao C, Zhao X, Liu J, Schneebeli ST, Shelley JC, Li J. Liao C, et al. Among authors: schneebeli st. Phys Chem Chem Phys. 2017 Mar 29;19(13):9181-9188. doi: 10.1039/c7cp00200a. Phys Chem Chem Phys. 2017. PMID: 28317993

5

Precise through-space control of an abiotic electrophilic aromatic substitution reaction.

Murphy KE, Bocanegra JL, Liu X, Chau HK, Lee PC, Li J, Schneebeli ST. Murphy KE, et al. Among authors: schneebeli st. Nat Commun. 2017 Apr 5;8:14840. doi: 10.1038/ncomms14840. Nat Commun. 2017. PMID: 28378788 Free PMC article.

6

Enantioselective Electrophilic Aromatic Nitration: A Chiral Auxiliary Approach.

Campbell JP, Rajappan SC, Jaynes TJ, Sharafi M, Ma YT, Li J, Schneebeli ST. Campbell JP, et al. Among authors: schneebeli st. Angew Chem Int Ed Engl. 2019 Jan 21;58(4):1035-1040. doi: 10.1002/anie.201811517. Epub 2018 Dec 17. Angew Chem Int Ed Engl. 2019. PMID: 30402995

7

Top-down Multiscale Approach To Simulate Peptide Self-Assembly from Monomers.

Zhao X, Liao C, Ma YT, Ferrell JB, Schneebeli ST, Li J. Zhao X, et al. Among authors: schneebeli st. J Chem Theory Comput. 2019 Mar 12;15(3):1514-1522. doi: 10.1021/acs.jctc.8b01025. Epub 2019 Mar 4. J Chem Theory Comput. 2019. PMID: 30677300

8

Targeting the PAC1 Receptor for Neurological and Metabolic Disorders.

Liao C, de Molliens MP, Schneebeli ST, Brewer M, Song G, Chatenet D, Braas KM, May V, Li J. Liao C, et al. Among authors: schneebeli st. Curr Top Med Chem. 2019;19(16):1399-1417. doi: 10.2174/1568026619666190709092647. Curr Top Med Chem. 2019. PMID: 31284862 Free PMC article. Review.

9

Selective Monofunctionalization Enabled by Reaction-History-Dependent Communication in Catalytic Rotaxanes.

Rajappan SC, McCarthy DR, Campbell JP, Ferrell JB, Sharafi M, Ambrozaite O, Li J, Schneebeli ST. Rajappan SC, et al. Among authors: schneebeli st. Angew Chem Int Ed Engl. 2020 Sep 14;59(38):16668-16674. doi: 10.1002/anie.202006305. Epub 2020 Jul 22. Angew Chem Int Ed Engl. 2020. PMID: 32525593 Free PMC article.

10

Aggregation State of Synergistic Antimicrobial Peptides.

Remington JM, Liao C, Sharafi M, Ste Marie EJ, Ferrell JB, Hondal RJ, Wargo MJ, Schneebeli ST, Li J. Remington JM, et al. Among authors: schneebeli st. J Phys Chem Lett. 2020 Nov 5;11(21):9501-9506. doi: 10.1021/acs.jpclett.0c02094. Epub 2020 Oct 27. J Phys Chem Lett. 2020. PMID: 33108730 Free PMC article.

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