Properties
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143. ANI neural network potentials for small molecule pKa prediction
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Phys. Chem. Chem. Phys. 2024 26 23934
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138. Minimal peptoid dynamics inform self-assembly propensity
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133. Triacylglyceride Melting Point Determination Using Coarse-Grained Molecular Dynamics
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131. Computational Modeling of 4d and 5d Transition Metal Catalysts
Chemistry, Molecular Sciences and Chemical Engineering, 2023, 10.1016/B978-0-12-821978-2.00065-9
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