Highly accurate protein structure prediction for the human proteome
Protein structures can provide invaluable information, both for reasoning about biological
processes and for enabling interventions such as structure-based drug development or …
processes and for enabling interventions such as structure-based drug development or …
Principles of protein structural ensemble determination
Highlights•The principles of protein structural ensemble determination are described.•The
use of experimental data averaged over multiple states is analysed.•Approaches for …
use of experimental data averaged over multiple states is analysed.•Approaches for …
Targeting intrinsically disordered proteins at the edge of chaos
H Ruan, Q Sun, W Zhang, Y Liu, L Lai - Drug discovery today, 2019 - Elsevier
Highlights•Intrinscially disordered proteins (IDPs) are abundant and involved in many
diseases.•Advances and challenges in drug design targeting IDPs are discussed.•Known …
diseases.•Advances and challenges in drug design targeting IDPs are discussed.•Known …
AlphaFold2 models indicate that protein sequence determines both structure and dynamics
Abstract AlphaFold 2 (AF2) has placed Molecular Biology in a new era where we can
visualize, analyze and interpret the structures and functions of all proteins solely from their …
visualize, analyze and interpret the structures and functions of all proteins solely from their …
Systematic identification of conditionally folded intrinsically disordered regions by AlphaFold2
The AlphaFold Protein Structure Database contains predicted structures for millions of
proteins. For the majority of human proteins that contain intrinsically disordered regions …
proteins. For the majority of human proteins that contain intrinsically disordered regions …
DisProt: intrinsic protein disorder annotation in 2020
Abstract The Database of Protein Disorder (DisProt, URL: https://disprot. org) provides
manually curated annotations of intrinsically disordered proteins from the literature. Here we …
manually curated annotations of intrinsically disordered proteins from the literature. Here we …
DisProt in 2022: improved quality and accessibility of protein intrinsic disorder annotation
Abstract The Database of Intrinsically Disordered Proteins (DisProt, URL: https://disprot. org)
is the major repository of manually curated annotations of intrinsically disordered proteins …
is the major repository of manually curated annotations of intrinsically disordered proteins …
AWSEM-IDP: a coarse-grained force field for intrinsically disordered proteins
The associative memory, water-mediated, structure and energy model (AWSEM) has been
successfully used to study protein folding, binding, and aggregation problems. In this work …
successfully used to study protein folding, binding, and aggregation problems. In this work …
Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations
Molecular dynamics (MD) simulation is widely used to complement ensemble-averaged
experiments of intrinsically disordered proteins (IDPs). However, MD often suffers from …
experiments of intrinsically disordered proteins (IDPs). However, MD often suffers from …
NMR insights into dynamic, multivalent interactions of intrinsically disordered regions: from discrete complexes to condensates
The spatial and temporal organization of interactions between proteins underlie the
regulation of most cellular processes. The requirement for such interactions to be specific …
regulation of most cellular processes. The requirement for such interactions to be specific …