Article

BenchIDPs: Evaluation of Conformational Preferences Molecular Mechanics and Solvent Interactions of IDPs across popular Force Fields and Water Models

2025-09-16

Abstract excerpt

Intrinsically disordered proteins (IDPs), unlike globular proteins, lack stable secondary structure and exist as dynamic ensembles of conformations in physiological conditions. These conformations allow them to adapt to many roles while interacting with other proteins, forming partially folded soluble oligomers or insoluble plaques rich in β -sheet, and are responsible for different pathological diseases. The dyn...

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Literature Corpus work: f054ee21-d1f5-5baf-a3b5-3c54eebdeb8a
DOI: 10.1101/2025.09.10.675321

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