Article

Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics Simulations

2019-08-09

Abstract excerpt

Intrinsically disordered proteins (IDPs) constitute a large fraction of the human proteome and are critical in the regulation of cellular processes. A detailed understanding of the conformational dynamics of IDPs could help to elucidate their roles in health and disease. However the inherent flexibility of IDPs makes structural studies and their interpretation challenging. Molecular dynamics (MD) simulations could...

Topics

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

Identifiers and source

Literature Corpus work: f0815985-a9ef-5e5c-961b-bb97862e989b
DOI: 10.1101/731133

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Hierarchical Ensembles of Intrinsically Disordered Proteins at Atomic Resolution in Molecular Dynamics SimulationsDOI 10.1101/731133Read

Ensemble docking for intrinsically disordered proteinsSemantic proximity Read

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

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

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

Decoding conformational heterogeneity across disordered proteomesSemantic proximity Read

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

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

AF-CALVADOS: AlphaFold-guided simulations of multi-domain proteins at the proteome levelSemantic proximity Read

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

Unveiling local and global conformational changes and allosteric communications in SOD1 systems using molecular dynamics simulation and network analyses.Semantic proximity Read

Exploiting NMR Ensemble Heterogeneity Enables Small Molecule Discovery Against Dynamic Protein-Protein InterfacesSemantic proximity Read

Combining molecular dynamics simulations and experimental analyses in protein misfolding.Semantic proximity Read