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Molecular Dynamics Group

The group focuses on understanding and predicting the macroscopic (experimentally observable) properties of biomolecular systems such as proteins, nucleic acids and lipid...

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  • protein-force-field-validation-set

    Protein Test Set: For the validation of protein force fields based on structural criteria.

    A curated test set of 52 high-resolution structures (39 derived from X-ray...

    瀏覽 Protein Test Set: For the validation of protein force fields based on structural criteria.
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The Australasian Computational and Simulation Commons project received investment from the NCRIS-enabled ARDC infrastructure under investment identifier 10.47486/DP723

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