The molecular basis for cellular function of intrinsically disordered protein regions
AS Holehouse, BB Kragelund - Nature Reviews Molecular Cell Biology, 2024 - nature.com
Intrinsically disordered protein regions exist in a collection of dynamic interconverting
conformations that lack a stable 3D structure. These regions are structurally heterogeneous …
conformations that lack a stable 3D structure. These regions are structurally heterogeneous …
Physics-based computational and theoretical approaches to intrinsically disordered proteins
Highlights•Liquid-liquid phase separation underlies the formation of membraneless
organelles within cells.•Theory and molecular simulations help to relate interactions at the …
organelles within cells.•Theory and molecular simulations help to relate interactions at the …
Molecular interactions contributing to FUS SYGQ LC-RGG phase separation and co-partitioning with RNA polymerase II heptads
The RNA-binding protein FUS (Fused in Sarcoma) mediates phase separation in
biomolecular condensates and functions in transcription by clustering with RNA polymerase …
biomolecular condensates and functions in transcription by clustering with RNA polymerase …
Pragmatic coarse-graining of proteins: models and applications
The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …
proteins with other molecules are often difficult to assess by experimental techniques …
Molecular details of protein condensates probed by microsecond long atomistic simulations
The formation of membraneless organelles in cells commonly occurs via liquid–liquid phase
separation (LLPS) and is in many cases driven by multivalent interactions between …
separation (LLPS) and is in many cases driven by multivalent interactions between …
Applications of molecular dynamics simulations in drug discovery
S AlRawashdeh, KH Barakat - Computational Drug Discovery and Design, 2023 - Springer
In the current drug development process, molecular dynamics (MD) simulations have proven
to be very useful. This chapter provides an overview of the current applications of MD …
to be very useful. This chapter provides an overview of the current applications of MD …
Conformational ensembles of intrinsically disordered proteins and flexible multidomain proteins
FE Thomasen, K Lindorff-Larsen - Biochemical Society …, 2022 - portlandpress.com
Intrinsically disordered proteins (IDPs) and multidomain proteins with flexible linkers show a
high level of structural heterogeneity and are best described by ensembles consisting of …
high level of structural heterogeneity and are best described by ensembles consisting of …
SOURSOP: A Python package for the analysis of simulations of intrinsically disordered proteins
Conformational heterogeneity is a defining hallmark of intrinsically disordered proteins and
protein regions (IDRs). The functions of IDRs and the emergent cellular phenotypes they …
protein regions (IDRs). The functions of IDRs and the emergent cellular phenotypes they …
A complex network of interdomain interactions underlies the conformational ensemble of monomeric TDP‐43 and modulates its phase behavior
Abstract TAR DNA‐binding protein 43 (TDP‐43) is a multidomain protein involved in the
regulation of RNA metabolism, and its aggregates have been observed in …
regulation of RNA metabolism, and its aggregates have been observed in …
[HTML][HTML] On the potential of machine learning to examine the relationship between sequence, structure, dynamics and function of intrinsically disordered proteins
K Lindorff-Larsen, BB Kragelund - Journal of Molecular Biology, 2021 - Elsevier
Intrinsically disordered proteins (IDPs) constitute a broad set of proteins with few uniting and
many diverging properties. IDPs—and intrinsically disordered regions (IDRs) interspersed …
many diverging properties. IDPs—and intrinsically disordered regions (IDRs) interspersed …