Publications

  • 129. Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems

    Angew. Chem. Int. Ed., 2023, 62, e202218067

    Ramakrishnan, M.; van Teijlingen, A.; Tuttle, T.

    Angew. Chem. Int. Ed. 2023 62 e202218067

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  • 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

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  • 127. Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations

    J. Chem. Inf. Model. 2022, 62, 22, 5601–5606

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

    J. Chem. Inf. Model. 2022 62 5601-5606

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  • 126. Catalytic hydrophosphination of alkynes using structurally diverse sodium diphenylphosphide donor complexes

    Cell Reports Physical Science., 2022, 100942

    Whitelaw, M.; Banerjee, S.; Kennedy, A.; van Teijlingen, A.; Tuttle, T.; Mulvey, R.

    Cell Reports Physical Chemistry 2022 100942

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