October 2025

New preprint: Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation

Check our latest preprint: Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation. C. Cattin, T. Plé, O. Adjoua, N. Gouraud, L. Lagardère, J.-P. Piquemal, 2025,...

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Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors

Check our new paper published in Communications Biology: Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors. N. Ansari, C. Liu, F. Hédin, J....

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