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Autonomous Science

INVITED · G51 · ID: 784500

Presentations

  • A Cloud-based AI-driven Autonomous Lab

    ORAL · Invited

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    Publication: [1] IBM Research Europe, Chem. Sci., 2018, 9, 6091-6098<br>[2] IBM Research Europe, ACS Cent. Sci. 2019, 5, 9, 1572-1583<br>[3] IBM Research Europe, Chem. Sci., 2020, 11, 3316-3325<br>[4] IBM Research Europe, Nat. Comm., 2020, 11, 3601<br>[5] IBM Research Europe, Nat. Comm., 2021, 12, 2573<br>[6] IBM Research Europe, Nat. Mach. Intel., 2021, 3, 144–152 <br>[7] IBM Research Europe, Mach. Learn.: Sci. Technol., 2021, 2, 015016<br>[8] https://rxn.res.ibm.com <br>

    Presenters

    • Teodoro Laino

      IBM

    Authors

    • Teodoro Laino

      IBM

    View abstract →

  • Autonomous Materials Science

    ORAL · Invited

    –

    Presenters

    • Aaron Kusne

      National Institute of Standards and Technology

    Authors

    • Aaron Kusne

      National Institute of Standards and Technology

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  • Rheostats and toggles switches for modulating protein function: A Cautionary Tale

    ORAL · Invited

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    Publication: 2022 Ruggiero M, Malhotra S, Fenton AW, Swint-Kruse L, Karanicolas J, and Hagenbuch B. Structural plasticity is a feature of rheostat positions in the human Na+/taurocholate cotransporting polypeptide (NTCP). Int J Mol Sci. 23: 3211. doi: 10.3390/ijms23063211. PMID: 35328632<br><br>2022 Page BM, Martin TA, Wright CL, Fenton LA, Villar MT, Tang Q, Artigues A, Lamb A, Fenton AW and Swint-Kruse L. Odd one out? Functional tuning of Zymomonas mobilis pyruvate kinase is narrower than its allosteric, human counterpart. Protein Science 7:e4336. PMID: 35762709 DOI: 10.1002/pro.4336 <br><br>2021 Swint-Kruse L, Martin TA, Page BM, Wu T, Gerhart P, Dougherty LL, Tang Q, and W. Fenton AW. Rheostat functional outcomes occur when substitutions are introduced at nonconserved positions that diverge with speciation. Protein Science, 30: 1833-1853. PMID: 34076313<br><br>2021 Ruggiero MJ, Malhotra S, Fenton AW, Swint-Kruse L, Karanicolas J, and Hagenbuch B. A clinically-relevant polymorphism in the sodium/taurocholate co-transporting polypeptide (NTCP) occurs at a rheostat position. J. Biol. Chem. 296: 100047. PMID: 33168628<br><br>2021 Campitelli P, Swint-Kruse L, and Ozkan SB. Substitutions at non-conserved rheostat positions modulate function by re-wiring long-range, dynamic interactions. Mol Biol Evol. 38: 201-214. PMID: 32780837<br><br>2017 Miller M.*, Bromberg, Y.*, Swint-Kruse, L*. Computational predictors fail to identify amino acid substitution effects at rheostat positions. Sci Reports. 7:41329. PMID: 28134345

    Presenters

    • Liskin Swint-Kruse

      Univ. Kansas Medical Center

    Authors

    • Liskin Swint-Kruse

      Univ. Kansas Medical Center

    View abstract →