Computational models for the study of protein aggregation
Protein aggregation has been studied by many groups around the world for many years
because it can be the cause of a number of neurodegenerative diseases that have no …
because it can be the cause of a number of neurodegenerative diseases that have no …
Mechanisms and kinetics of amyloid aggregation investigated by a phenomenological coarse-grained model
A Magno, R Pellarin, A Caflisch - … of Biological Systems: From Molecules to …, 2012 - Springer
Amyloid fibrils are ordered polypeptide aggregates that have been implicated in several
neurodegenerative pathologies, such as Alzheimer's, Parkinson's, Huntington's, and prion …
neurodegenerative pathologies, such as Alzheimer's, Parkinson's, Huntington's, and prion …
Simulations of protein aggregation
Protein aggregation1 can be both a curse and a blessing. It is viewed as a curse because it
is a cause or an associated symptom of diseases such as Alzheimer's and Parkinson's, 2− 7 …
is a cause or an associated symptom of diseases such as Alzheimer's and Parkinson's, 2− 7 …
Computational studies of protein aggregation: methods and applications
A Morriss-Andrews, JE Shea - Annual review of physical …, 2015 - annualreviews.org
Protein aggregation involves the self-assembly of normally soluble proteins into large
supramolecular assemblies. The typical end product of aggregation is the amyloid fibril, an …
supramolecular assemblies. The typical end product of aggregation is the amyloid fibril, an …
Protein aggregation and molecular crowding: Perspectives from multiscale simulations
F Musiani, A Giorgetti - International review of cell and molecular biology, 2017 - Elsevier
Cells are extremely crowded environments, thus the use of diluted salted aqueous solutions
containing a single protein is too simplistic to mimic the real situation. Macromolecular …
containing a single protein is too simplistic to mimic the real situation. Macromolecular …
PACSAB Server: A Web-Based Tool for the Study of Aggregation and the Conformational Ensemble of Disordered and Folded Proteins
A Emperador - International Journal of Molecular Sciences, 2024 - mdpi.com
We present in this article the PACSAB server, which is designed to provide information
about the structural ensemble and interactions of both stable and disordered proteins to …
about the structural ensemble and interactions of both stable and disordered proteins to …
Computer Simulations Aimed at Exploring Protein Aggregation and Dissociation
PH Nguyen, P Derreumaux - … Simulations of Aggregation of Proteins and …, 2022 - Springer
Protein aggregation can lead to well-defined structures that are functional, but is also the
cause of the death of neuron cells in many neurodegenerative diseases. The complexity of …
cause of the death of neuron cells in many neurodegenerative diseases. The complexity of …
Effect of secondary structure on protein aggregation: A replica exchange simulation study
The ability to control or reverse protein aggregation is vital to the production and formulation
of therapeutic proteins and may be the key to the prevention of a number of …
of therapeutic proteins and may be the key to the prevention of a number of …
[图书][B] Computer simulations of aggregation of proteins and peptides
Protein aggregation is a hallmark of a large group of major human diseases, including
Alzheimer's disease, type 2 diabetes, amyotrophic lateral sclerosis, Parkinson's disease …
Alzheimer's disease, type 2 diabetes, amyotrophic lateral sclerosis, Parkinson's disease …
Molecular dynamics simulations of protein aggregation: protocols for simulation setup and analysis with Markov state models and transition networks
S Samantray, W Schumann, AM Illig… - Computer simulations of …, 2022 - Springer
Protein disorder and aggregation play significant roles in the pathogenesis of numerous
neurodegenerative diseases, such as Alzheimer's and Parkinson's diseases. The end …
neurodegenerative diseases, such as Alzheimer's and Parkinson's diseases. The end …