# Training Neural Network Models Using Molecular Dynamics Simulation Results to Efficiently Predict Cyclic Hexapeptide Structural Ensembles

> Research article (Journal of Chemical Theory and Computation, 2023) · cited 20× · AI/ML

**Wikidata**: [openalex:W4378469484](https://www.wikidata.org/wiki/openalex:W4378469484)  
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