[HTML][HTML] Integrative modelling of biomolecular complexes
PI Koukos, A Bonvin - Journal of molecular biology, 2020 - Elsevier
In recent years, the use of integrative, information-driven computational approaches for
modeling the structure of biomolecules has been increasing in popularity. These are now …
modeling the structure of biomolecules has been increasing in popularity. These are now …
Cholesterol and Lipid Rafts in the Biogenesis of Amyloid-β Protein and Alzheimer's Disease
Cholesterol has been conjectured to be a modulator of the amyloid cascade, the mechanism
that produces the amyloid-β (Aβ) peptides implicated in the onset of Alzheimer's disease …
that produces the amyloid-β (Aβ) peptides implicated in the onset of Alzheimer's disease …
Peptide permeation across a phosphocholine membrane: An atomically detailed mechanism determined through simulations and supported by experimentation
Cell-penetrating peptides (CPPs) facilitate translocation across biological membranes and
are of significant biological and medical interest. Several CPPs can permeate into specific …
are of significant biological and medical interest. Several CPPs can permeate into specific …
Advancing membrane-associated protein docking with improved sampling and scoring in Rosetta
The oligomerization of protein macromolecules on cell membranes plays a fundamental role
in regulating cellular function. From modulating signal transduction to directing immune …
in regulating cellular function. From modulating signal transduction to directing immune …
Integrative modeling of membrane-associated protein assemblies
Membrane proteins are among the most challenging systems to study with experimental
structural biology techniques. The increased number of deposited structures of membrane …
structural biology techniques. The increased number of deposited structures of membrane …
[HTML][HTML] Structure of APP-C991–99 and implications for role of extra-membrane domains in function and oligomerization
The 99 amino acid C-terminal fragment of Amyloid Precursor Protein APP-C99 (C99) is
cleaved by γ-secretase to form Aβ peptide, which plays a critical role in the etiology of …
cleaved by γ-secretase to form Aβ peptide, which plays a critical role in the etiology of …
Protein–protein docking in drug design and discovery
Protein–protein interactions (PPIs) are responsible for a number of key physiological
processes in the living cells and underlie the pathomechanism of many diseases …
processes in the living cells and underlie the pathomechanism of many diseases …
[HTML][HTML] Information-driven modeling of biomolecular complexes
Proteins play crucial roles in every cellular process by interacting with each other, nucleic
acids, metabolites, and other molecules. The resulting assemblies can be very large and …
acids, metabolites, and other molecules. The resulting assemblies can be very large and …
Memdock: an α-helical membrane protein docking algorithm
N Hurwitz, D Schneidman-Duhovny… - Bioinformatics, 2016 - academic.oup.com
Motivation: A wide range of fundamental biological processes are mediated by membrane
proteins. Despite their large number and importance, less than 1% of all 3D protein …
proteins. Despite their large number and importance, less than 1% of all 3D protein …
[HTML][HTML] A membrane protein complex docking benchmark
PI Koukos, I Faro, CW van Noort… - Journal of molecular …, 2018 - Elsevier
We report the first membrane protein–protein docking benchmark consisting of 37 targets of
diverse functions and folds. The structures were chosen based on a set of parameters such …
diverse functions and folds. The structures were chosen based on a set of parameters such …