Properties

  • 144. ANI neural network potentials for small molecule pKa prediction

    Urquhart, R. J.; Teijlingen, A. V.; Tuttle, T.

    Phys. Chem. Chem. Phys. 2024 26 23934

  • 143. Mathematical and computational modeling of fats and triacylglycerides

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

    Compr. Rev. Food. Sci Food. Saf. 2024

  • 138. Minimal peptoid dynamics inform self-assembly propensity

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

    J. Phys. Chem. B 2023 127 10601

  • 133. Triacylglyceride Melting Point Determination Using Coarse-Grained Molecular Dynamics

    J. Comput. Chem., 2023, 44, 1795.

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

    J. Comput. Chem. 2023 44 1795.