Predicting conformational ensembles of intrinsically disordered proteins: From molecular dynamics to machine learning
Intrinsically disordered proteins and regions (IDP/IDRs) are ubiquitous across all domains of
life. Characterized by a lack of a stable tertiary structure, IDP/IDRs populate a diverse set of …
life. Characterized by a lack of a stable tertiary structure, IDP/IDRs populate a diverse set of …
PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins
Abstract The Protein Ensemble Database (PED)(https://proteinensemble. org), which holds
structural ensembles of intrinsically disordered proteins (IDPs), has been significantly …
structural ensembles of intrinsically disordered proteins (IDPs), has been significantly …
PED in 2024: improving the community deposition of structural ensembles for intrinsically disordered proteins
Abstract The Protein Ensemble Database (PED)(URL: https://proteinensemble. org) is the
primary resource for depositing structural ensembles of intrinsically disordered proteins. This …
primary resource for depositing structural ensembles of intrinsically disordered proteins. This …
Folding and self-assembly of short intrinsically disordered peptides and protein regions
Proteins and peptide fragments are highly relevant building blocks in self-assembly for
nanostructures with plenty of applications. Intrinsically disordered proteins (IDPs) and …
nanostructures with plenty of applications. Intrinsically disordered proteins (IDPs) and …
Analysis of Structural Changes in the Protein near the Phosphorylation Site
KS Nikolsky, LI Kulikova, DV Petrovskiy, VR Rudnev… - Biomolecules, 2023 - mdpi.com
Modification of the protein after synthesis (PTM) often affects protein function as supported
by numerous studies. However, there is no consensus about the degree of structural protein …
by numerous studies. However, there is no consensus about the degree of structural protein …
Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and …
The emergence and immune evasion ability of SARS-CoV-2 Omicron strains, mainly BA. 5.2
and BF. 7 and other variants of concern have raised global apprehensions. With this context …
and BF. 7 and other variants of concern have raised global apprehensions. With this context …
Weighted families of contact maps to characterize conformational ensembles of (highly-) flexible proteins
Motivation Characterizing the structure of flexible proteins, particularly within the realm of
intrinsic disorder, presents a formidable challenge due to their high conformational …
intrinsic disorder, presents a formidable challenge due to their high conformational …
WASCO: a Wasserstein-based statistical tool to compare conformational ensembles of intrinsically disordered proteins
The structural investigation of intrinsically disordered proteins (IDPs) requires ensemble
models describing the diversity of the conformational states of the molecule. Due to their …
models describing the diversity of the conformational states of the molecule. Due to their …
Exploring the potential of black soldier Fly larval proteins as bioactive peptide sources through in silico gastrointestinal proteolysis: a cheminformatic investigation
Despite their potential as a protein source for human consumption, the health benefits of
black soldier fly larvae (BSFL) proteins following human gastrointestinal (GI) digestion are …
black soldier fly larvae (BSFL) proteins following human gastrointestinal (GI) digestion are …
The Entamoeba histolytica Vps26 (EhVps26) retromeric protein is involved in phagocytosis: Bioinformatic and experimental approaches
D Martínez-Valencia, C Bañuelos, G García-Rivera… - Plos one, 2024 - journals.plos.org
The retromer is a cellular structure that recruits and recycles proteins inside the cell. In
mammalian and yeast, the retromer components have been widely studied, but very little in …
mammalian and yeast, the retromer components have been widely studied, but very little in …