Article

Benchmarking Molecular Dynamics Force Fields for All-Atom Simulations of Biological Condensates

2023-02-10

Abstract excerpt

Proteins containing intrinsically disordered regions are integral components of the cellular signaling pathways and common components of biological condensates. Point mutations in the protein sequence, genetic at birth or acquired through aging, can alter the properties of the condensates, marking the onset of neurodegenerative diseases such as ALS and dementia. While the all-atom molecular dynamics method can, in...

Topics

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

Identifiers and source

Literature Corpus work: 826ff1f9-14d5-5958-bff6-60b912c8d7ea
DOI: 10.1101/2023.02.09.527891

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Benchmarking Molecular Dynamics Force Fields for All-Atom Simulations of Biological CondensatesDOI 10.1101/2023.02.09.527891Read

The physics of liquid-to-solid transitions in multi-domain protein condensatesSemantic proximity Read

HspB8 prevents aberrant phase transitions of FUS by chaperoning its folded RNA binding domainSemantic proximity Read

HspB8 prevents aberrant phase transitions of FUS by chaperoning its folded RNA-binding domain.Semantic proximity Read

Molecular insights into the interaction between a disordered protein and a folded RNASemantic proximity Read

Multi-scale in silico analysis of the phase separation behavior of FUS mutants.Semantic proximity Read

All-Atom Simulations Elucidate the Impact of U2AF2 Cancer-Associated Mutations on Pre-mRNA Recognition.Semantic proximity Read

Molecular model of human tropoelastin and implications of associated mutations.Semantic proximity Read

Diverging co-translational protein complex assembly pathways are governed by interface energy distributionSemantic proximity Read

Benchmark of force fields to characterize the intrinsically disordered R2-FUS-LC regionSemantic proximity Read

Sequence determinants of protein phase behavior from a coarse-grained model.Semantic proximity Read

Intelligent Resolution: Integrating Cryo-EM with AI-driven Multi-resolution Simulations to Observe the SARS-CoV-2 Replication-Transcription Machinery in ActionSemantic proximity Read

Insights into Molecular Diversity within the FET Family: Unraveling Phase Separation of the N-Terminal Low Complexity Domain from RNA-Binding Protein EWSSemantic proximity Read