Article

Approximating conformational Boltzmann distributions with AlphaFold2 predictions

2023-08-07

Abstract excerpt

Protein dynamics are intimately tied to biological function and can enable processes such as signal transduction, enzyme catalysis, and molecular recognition. The relative free energies of conformations that contribute to these functional equilibria are evolved for the physiology of the organism. Despite the importance of these equilibria for understanding biological function and developing treatments for disease,...

Topics

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

Identifiers and source

Literature Corpus work: 016035c6-5c1d-5a25-aaf5-08b243acbd3f
DOI: 10.1101/2023.08.06.552168

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Approximating conformational Boltzmann distributions with AlphaFold2 predictionsDOI 10.1101/2023.08.06.552168Read

High-throughput prediction of protein conformational distributions with subsampled AlphaFold2.Semantic proximity Read

ESMDynamic: Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single SequencesSemantic proximity Read

AI-Predicted Protein Deformation Encodes Energy Landscape Perturbation.Semantic proximity Read

High-accuracy mapping of human and viral direct physical protein-protein interactions using the novel computational system AlphaFold-pairsSemantic proximity Read

Can contact potentials reliably predict stability of proteins?Semantic proximity Read

Prediction of multiple conformational states by combining sequence clustering with AlphaFold2Semantic proximity Read

DBFOLD: An efficient algorithm for computing folding pathways of complex proteinsSemantic proximity Read

AFsample2: Predicting multiple conformations and ensembles with AlphaFold2Semantic proximity Read

Atomistic Modeling of Liquid-Liquid Phase Equilibrium Explains Dependence of Critical Temperature on γ-Crystallin SequenceSemantic proximity Read

PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein EnsemblesSemantic proximity Read

Atomic resolution ensembles of intrinsically disordered proteins with AlphafoldSemantic proximity Read

KinConfBench: A Curated Benchmark for Cofolding Models on Kinase Conformational StatesSemantic proximity Read