• 128. COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides

    Acc. Chem. Res. 2023, 19, 4, 1333-1341

    Cordina, R. J.; Smith, B.; Tuttle, T.

    J. Chem. Theory Comput. 2023 19 1333-1341

  • 125. Hydrocarbon Soluble Alkali-Metal-Aluminium Hydride Surrog[ATES]

    Chem. Eur. J. 2022, e202201085

    Banerjee S.;Macdonald P. A.; Orr S. A.; Kennedy A. R.; van Teijlingen A.; Robertson S. D.; Tuttle T.; Mulvey, R. E.

    Chemistry - A European Journal 2022 e202201085

  • 123. Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization

    J. Phys. Chem. Lett. 2022, 13, 4046.

    van Teijlingen, A.; Swanson, H. W. A.; Lau, K. H. A.; Tuttle, T.

    J. Phys. Chem. Lett. 2022 13 4046.

  • 121. Expanding the Conformational Landscape of Minimalistic Tripeptides by Their O-Glycosylation

    J. Am. Chem. Soc. 2021, 143, 19703.

    Brito, A.; Dave, D.; Lampel, A.; Castro, V. I. B.; Kroiss, D.; Reis, R. L.; Tuttle, T.; Ulijn, R. V.; Pires, R. A.; Pashkuleva, I.

    J. Am. Chem. Soc. 2021 143 19703