Article

Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins via Fine-tuned Diffusion Models

2024-05-07

Abstract excerpt

Intrinsically disordered proteins (IDPs) play pivotal roles in various biological functions and are closely linked to many human diseases including cancer, diabetes and Alzheimer disease. Structural investigations of IDPs typically involve a combination of molecular dynamics (MD) simulations and experimental data to correct for intrinsic biases in simulation methods. However, these simulations are hindered by thei...

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Literature Corpus work: 1d8fe704-bbc0-5663-a907-c82ba95968f9
DOI: 10.1101/2024.05.05.592611

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