ArticleThe journal of physical chemistry. B2014
Comparison of structure determination methods for intrinsically disordered amyloid-β peptides.
Article in The journal of physical chemistry. B, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- pH Sensitivity of the SERF1a Conformational Ensemble.ACS omega · 2026Article
- UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures.Journal of the American Chemical Society · 2024Article
- Computational Methods to Investigate Intrinsically Disordered Proteins and their Complexes.ArXiv · 2024Article
- Training Neural Network Models Using Molecular Dynamics Simulation Results to Efficiently Predict Cyclic Hexapeptide Structural Ensembles.Journal of chemical theory and computation · 2023Article
- Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data.The Journal of chemical physics · 2023Article
- IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States.The journal of physical chemistry. A · 2022Article
- Protein Dynamics to Define and Refine Disordered Protein Ensembles.The journal of physical chemistry. B · 2022Article
- Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins.International journal of molecular sciences · 2021Article
- Extended Experimental Inferential Structure Determination Method in Determining the Structural Ensembles of Disordered Protein States.Communications chemistry · 2020Article
- HIV and Alzheimer's disease: complex interactions of HIV-Tat with amyloid β peptide and Tau protein.Journal of neurovirology · 2019Review
- bHLH-PAS Proteins: Their Structure and Intrinsic Disorder.International journal of molecular sciences · 2019Review
- Structural Characterization of N-WASP Domain V Using MD Simulations with NMR and SAXS Data.Biophysical journal · 2019Article
- The combined force field-sampling problem in simulations of disordered amyloid-β peptides.The Journal of chemical physics · 2019Article
- Mechanical and thermodynamic properties of AβBeilstein journal of nanotechnology · 2019Article
- Looking at the Disordered Proteins through the Computational Microscope.ACS central science · 2018Review
- Effect of a Paramagnetic Spin Label on the Intrinsically Disordered Peptide Ensemble of Amyloid-β.Biophysical journal · 2017Article
- HIV Tat protein and amyloid-β peptide form multifibrillar structures that cause neurotoxicity.Nature structural & molecular biology · 2017Article
- Quarterly intrinsic disorder digest (April-May-June, 2014).Intrinsically disordered proteins · 2017Article
- Comparing generalized ensemble methods for sampling of systems with many degrees of freedom.The Journal of chemical physics · 2016Article
- Finding Our Way in the Dark Proteome.Journal of the American Chemical Society · 2016Article
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Authors and funding
3 authors.
Funding
Abstract
Intrinsically disordered proteins (IDPs) represent a new frontier in structural biology since the primary characteristic of IDPs is that structures need to be characterized as diverse ensembles of conformational substates. We compare two general but very different ways of combining NMR spectroscopy with theoretical methods to derive structural ensembles for the disease IDPs amyloid-β 1-40 and amyloid-β 1-42, which are associated with Alzheimer's Disease. We analyze the performance of de novo molecular dynamics and knowledge-based approaches for generating structural ensembles by assessing their ability to reproduce a range of NMR experimental observables. In addition to the comparison of computational methods, we also evaluate the relative value of different types of NMR data for refining or validating the IDP structural ensembles for these important disease peptides.
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