Properties
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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
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143. Mathematical and computational modeling of fats and triacylglycerides
Cordina, R.; Smith, B.; Tuttle, T.
Compr. Rev. Food. Sci Food. Saf. 2024
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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
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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.