BiophysicsbioRxivPreprint
Model Agnostic Conditioning of Boltzmann Generators for Peptide Cyclization
Benjamin du Pont, Alex Abrudan, Rob M. Scrutton…·Tuomas P. J. Knowles
This paper introduces a model-agnostic framework to condition Boltzmann generators for sampling cyclic peptide conformations without retraining, using chemically informed loss functions and geometric constraints.
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