@article{dynamateanautonomousagentforproteinligan, title = {DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations}, author = {Salomé Guilbert and Cassandra Masschelein and Jeremy Goumaz and Bohdan Naida and Philippe Schwaller}, year = {2025}, eprint = {2512.10034}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2512.10034}, }