Molecular Insights into Distinct Membrane-insertion Behaviors and Mechanisms of 20 Amino Acids: an All-atom MD Simulation Study

EGCG attenuates α-synuclein protofibril-membrane interactions and disrupts the protofibril

(2023) Zhongyuan Yang et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C

(2022) Emmanuel E. Moutoussamy et al.   Journal of Chemical Information and Modeling

An Effective Strategy to Develop Potent and Selective Antifungal Agents from Cell Penetrating Peptides in Tackling Drug-Resistant Invasive Fungal Infections

(2022) Yueming Wu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Cardiolipin Selectively Binds to the Interface of VsSemiSWEET and Regulates Its Dimerization

(2021) Zhixiong Deng et al.   Journal of Physical Chemistry Letters

Protein Assembly by Design

(2021) Jie Zhu et al.   CHEMICAL REVIEWS

Hierarchical Structure of Protein Sequence

(2021) Alexei N. Nekrasov et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Tau and Membranes: Interactions That Promote Folding and Condensation

(2021) Chad A. Sallaberry et al.   Frontiers in Cell and Developmental Biology

Membrane Binding of α-Synuclein Stimulates Expansion of SNARE-Dependent Fusion Pore

(2021) Ryan Khounlo et al.   Frontiers in Cell and Developmental Biology

Endocytic proteins with prion-like domains form viscoelastic condensates that enable membrane remodeling

(2021) Louis-Philippe Bergeron-Sandoval et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Correlation between Single Molecular Dynamics and Biological Functions of Antimicrobial Peptide Melittin

(2020) Cheng Xu et al.   Journal of Physical Chemistry Letters

Direct measurement of lipid membrane disruption connects kinetics and toxicity of Aβ42 aggregation

(2020) Patrick Flagmeier et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Aβ(1-42) tetramer and octamer structures reveal edge conductivity pores as a mechanism for membrane damage

(2020) Sonia Ciudad et al.   Nature Communications

Green tea extract EGCG plays a dual role in Aβ42 protofibril disruption and membrane protection: A molecular dynamic study

(2020) Xuewei Dong et al.   CHEMISTRY AND PHYSICS OF LIPIDS

A Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies

(2019) D'Artagnan Greene et al.   Journal of Chemical Information and Modeling

Lewy pathology in Parkinson’s disease consists of crowded organelles and lipid membranes

(2019) Sarah H. Shahmoradian et al.   NATURE NEUROSCIENCE

Tau-induced mitochondrial membrane perturbation is dependent upon cardiolipin

(2019) Angelique Camilleri et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The Control Centers of Biomolecular Phase Separation: How Membrane Surfaces, PTMs, and Active Processes Regulate Condensation

(2019) Wilton T. Snead et al.   MOLECULAR CELL

The on-fibrillation-pathway membrane content leakage and off-fibrillation-pathway lipid mixing induced by 40-residue β-amyloid peptides in biologically relevant model liposomes

(2018) Qinghui Cheng et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Recent computational studies of membrane interaction and disruption of human islet amyloid polypeptide: Monomers, oligomers and protofibrils

(2018) Xuewei Dong et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Cytosolic antibody delivery by lipid-sensitive endosomolytic peptide

(2017) Misao Akishiba et al.   Nature Chemistry

The ER membrane protein complex is a transmembrane domain insertase

(2017) Alina Guna et al.   SCIENCE

Discovery and characterization of stable and toxic Tau/phospholipid oligomeric complexes

(2017) Nadine Ait-Bouziad et al.   Nature Communications

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

(2016) Hanif M. Khan et al.   BIOPHYSICAL JOURNAL

Distinct Membrane Disruption Pathways Are Induced by 40-Residue β-Amyloid Peptides

(2016) Dennis A. Delgado et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Phase separation of signaling molecules promotes T cell receptor signal transduction

(2016) Xiaolei Su et al.   SCIENCE

Binding Orientations and Lipid Interactions of Human Amylin at Zwitterionic and Anionic Lipid Bilayers

(2016) Zhenyu Qian et al.   Journal of Diabetes Research

Modulation of Alzheimer’s Aβ Protofilament-Membrane Interactions by Lipid Headgroups

(2015) Florentina Tofoleanu et al.   ACS Chemical Neuroscience

Lipid vesicles trigger α-synuclein aggregation by stimulating primary nucleation

(2015) Céline Galvagnion et al.   Nature Chemical Biology

Spreading of pathology in neurodegenerative diseases: a focus on human studies

(2015) Johannes Brettschneider et al.   NATURE REVIEWS NEUROSCIENCE

Spontaneous membrane-translocating peptides: influence of peptide self-aggregation and cargo polarity

(2015) Sara Macchi et al.   Scientific Reports

Membrane proteins bind lipids selectively to modulate their structure and function

(2014) Arthur Laganowsky et al.   NATURE

A lipid bound actin meshwork organizes liquid phase separation in model membranes

(2014) Alf Honigmann et al.   eLife

Phase transitions of multivalent proteins can promote clustering of membrane receptors

(2014) Sudeep Banjade et al.   eLife

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Amyloidogenic Protein-Membrane Interactions: Mechanistic Insight from Model Systems

(2010) Sara M. Butterfield et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stimulated endocytosis in penetratin uptake: Effect of arginine and lysine

(2008) Helene L. Åmand et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lipid membrane templates the ordering and induces the fibrillogenesis of Alzheimer's disease amyloid-β peptide

(2008) Eva Y. Chi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS