Article

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

2024-07-15

Abstract excerpt

<title>Abstract</title> <p>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 simu...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: b8d5a941-718c-5fd3-bf45-546499968a4c
DOI: 10.21203/rs.3.rs-4489551/v1

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins via Fine-tuned Diffusion ModelsDOI 10.21203/rs.3.rs-4489551/v1Read

Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins via Fine-tuned Diffusion ModelsSemantic proximity Read

Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics SimulationsSemantic proximity Read

Decoding conformational heterogeneity across disordered proteomesSemantic proximity Read

Conformational ensembles of the human intrinsically disordered proteome: Bridging chain compaction with function and sequence conservationSemantic proximity Read

Molecular dynamics simulations of intrinsically disordered protein regions enable biophysical interpretation of variant effect predictorsSemantic proximity Read

Atomic resolution ensembles of intrinsically disordered proteins with AlphafoldSemantic proximity Read

Ensemble docking for intrinsically disordered proteinsSemantic proximity Read

HyRes: Accurate Physics-Based Simulation of Dynamic Protein Structures and Interactions in Complex Environments at ScaleSemantic proximity Read

Structural and dynamics analysis of intrinsically disordered proteins by high-speed atomic force microscopy.Semantic proximity Read

Accelerated Sampling of Protein Dynamics Using BioEmu-Augmented Molecular Simulation.Semantic proximity Read

Hidden structural states of proteins revealed by conformer selection with AlphaFold-NMRSemantic proximity Read

Integrative conformational ensembles of Sic1 using different initial pools and optimization methodsSemantic proximity Read