Lipid domain boundary triggers membrane damage and protein folding of human islet amyloid polypeptide in the early pathogenesis of amyloid diseases

Structural Dissection of the First Events Following Membrane Binding of the Islet Amyloid Polypeptide

(2022) Lucie Khemtemourian et al.   Frontiers in Molecular Biosciences

Exploring the binding kinetics and behaviors of self-aggregated beta-amyloid oligomers to phase-separated lipid rafts with or without ganglioside-clusters

(2022) Thuong Pham et al.   BIOPHYSICAL CHEMISTRY

Effects of cholesterol on the structure and collapse of DPPC monolayers

(2022) Fazle R. Dayeen et al.   BIOPHYSICAL JOURNAL

Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process

(2022) Daniela Meleleo et al.   BIOPHYSICAL CHEMISTRY

Proteostasis of Islet Amyloid Polypeptide: A Molecular Perspective of Risk Factors and Protective Strategies for Type II Diabetes

(2021) Danilo Milardi et al.   CHEMICAL REVIEWS

Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis

(2021) Phuong H. Nguyen et al.   CHEMICAL REVIEWS

Amyloid-type Protein Aggregation and Prion-like Properties of Amyloids

(2021) Dieter Willbold et al.   CHEMICAL REVIEWS

Distinct Modes of Action of IAPP Oligomers on Membranes

(2021) Aliasghar Sepehri et al.   Journal of Chemical Information and Modeling

The thermodynamic and kinetic mechanisms of a Ganoderma lucidum proteoglycan inhibiting hIAPP amyloidosis

(2021) Fanzhen Yu et al.   BIOPHYSICAL CHEMISTRY

Axonal plasma membrane-mediated toxicity of cholesterol in Alzheimer's disease: A microsecond molecular dynamics study

(2021) Mayuri Gupta et al.   BIOPHYSICAL CHEMISTRY

Disorder-to-order transition of the amyloid-β peptide upon lipid binding

(2021) Hebah Fatafta et al.   BIOPHYSICAL CHEMISTRY

Coarse-grained MD simulations reveal beta-amyloid fibrils of various sizes bind to interfacial liquid-ordered and liquid-disordered regions in phase separated lipid rafts with diverse membrane-bound conformational states

(2020) Sara Y. Cheng et al.   BIOPHYSICAL CHEMISTRY

Cryo-EM structure and inhibitor design of human IAPP (amylin) fibrils

(2020) Qin Cao et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Amylin and beta amyloid proteins interact to form amorphous heterocomplexes with enhanced toxicity in neuronal cells

(2020) Prashant Bharadwaj et al.   Scientific Reports

Simulations of Asymmetric Membranes Illustrate Cooperative Leaflet Coupling and Lipid Adaptability

(2020) Madison Blumer et al.   Frontiers in Cell and Developmental Biology

Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids

(2020) Fredrik Grote et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipid-Chaperone Hypothesis: A Common Molecular Mechanism of Membrane Disruption by Intrinsically Disordered Proteins

(2020) Michele F. Sciacca et al.   ACS Chemical Neuroscience

Visualizing and trapping transient oligomers in amyloid assembly pathways

(2020) Emma E. Cawood et al.   BIOPHYSICAL CHEMISTRY

LIPID RAFTS AND NEURODEGENERATION: Structural and functional roles in physiologic aging and neurodegenerative diseases

(2019) Sara Grassi et al.   JOURNAL OF LIPID RESEARCH

CONAN: A Tool to Decode Dynamical Information from Molecular Interaction Maps

(2018) Davide Mercadante et al.   BIOPHYSICAL JOURNAL

Membrane Lipid Nanodomains

(2018) Marek Cebecauer et al.   CHEMICAL REVIEWS

High-resolution structure of coexisting nanoscopic and microscopic lipid domains

(2017) Michal Belička et al.   Soft Matter

FATSLiM: a fast and robust software to analyze MD simulations of membranes

(2016) Sébastien Buchoux   BIOINFORMATICS

The Role of Cholesterol in Driving IAPP-Membrane Interactions

(2016) Michele F.M. Sciacca et al.   BIOPHYSICAL JOURNAL

Maximally asymmetric transbilayer distribution of anionic lipids alters the structure and interaction with lipids of an amyloidogenic protein dimer bound to the membrane surface

(2016) Sara Y. Cheng et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Line tension at lipid phase boundaries as driving force for HIV fusion peptide-mediated fusion

(2016) Sung-Tae Yang et al.   Nature Communications

Lipid insertion domain unfolding regulates protein orientational transition behavior in a lipid bilayer

(2015) Kwan Hon Cheng et al.   BIOPHYSICAL CHEMISTRY

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

How Do Membranes Initiate Alzheimer’s Disease? Formation of Toxic Amyloid Fibrils by the Amyloid β-Protein on Ganglioside Clusters

(2014) Katsumi Matsuzaki   ACCOUNTS OF CHEMICAL RESEARCH

Cations as Switches of Amyloid-Mediated Membrane Disruption Mechanisms: Calcium and IAPP

(2013) Michele F.M. Sciacca et al.   BIOPHYSICAL JOURNAL

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

(2013) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Two-Step Mechanism of Membrane Disruption by Aβ through Membrane Fragmentation and Pore Formation

(2012) Michele F.M. Sciacca et al.   BIOPHYSICAL JOURNAL

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Does Cholesterol Play a Role in the Bacterial Selectivity of Antimicrobial Peptides?

(2012) Jeffrey R. Brender et al.   Frontiers in Immunology

Membrane Disruption and Early Events in the Aggregation of the Diabetes Related Peptide IAPP from a Molecular Perspective

(2011) Jeffrey R. Brender et al.   ACCOUNTS OF CHEMICAL RESEARCH

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Amyloid Fiber Formation and Membrane Disruption are Separate Processes Localized in Two Distinct Regions of IAPP, the Type-2-Diabetes-Related Peptide

(2008) Jeffrey R. Brender et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane damage by human islet amyloid polypeptide through fibril growth at the membrane

(2008) M. F. M. Engel et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The molecular face of lipid rafts in model membranes

(2008) H. J. Risselada et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA