韦广红

2026

Pathological Mutation E46K Acts as an Electrostatic Switch to Increase Distant Interdomain Interactions and Promote α-Synuclein Phase Separation

JACS Au

DOI

2026

Formation of S- and Z-twist supramolecular micro-ropes by peptide stereoisomers

Nature Communications

DOI

2026

Alzheimer’s Aβ catalyzes Tau phase separation and aggregation via early nanocluster solubilization

Nature Communications

DOI

2026

Underlying Polymorphism: Superhelical Crystallization Induces Architectural and Functional Diversity (Small 6/2026)

Small

DOI

2026

NPM1 Undergoes Salt-Dependent Reentrant Phase Separation Driven by IDR Conformational Plasticity and Electrostatic Crosstalk.

Small

DOI

2025

Underlying Polymorphism: Superhelical Crystallization Induces Architectural and Functional Diversity

Small

DOI

2025

Histidine Containing Minimalistic‐Peptide‐Based Nanostructured Hydrogel for Multiple Enzyme‐Mimicking Catalytic Activities

Small

DOI

2025

Stoichiometry-Controlled Structural Transformation of Diphenylalanine Nanoassemblies through Coassembly with Charged Dipeptides

JACS Au

DOI

2025

Dissecting the Molecular Determinants of α‐synuclein Phase Separation and Condensate Aging: The Pivotal Role of β‐Sheet‐Rich Motifs

Advanced Science

DOI

2025

Discrete Actuation of Water‐Responsive Crystalline Metal–Peptide Frameworks

Angewandte Chemie

DOI

2025

Direct Observation of the Conformational Transitions in Tau and Their Correlation with Phase Behavior

JACS Au

DOI

2025

Comparative Study of a Variant Neural Relational Inference Deep Learning Model and Dynamical Network Analysis for p53-DNA Allosteric Interactions

Journal of Molecular Biology

DOI

2025

Effect of solvent-induced packing transitions on N-capped diphenylalanine peptide crystal growth

Nature Communications

DOI

2025

pH ‐Dependent β‐Strand Alignment of the Alzheimer's Amyloid‐β (16–22) Peptide

Proteins Structure Function and Bioinformatics

DOI

2025

Elucidating How Terminal Capping of Tau Hexapeptide PHF6 Modulates the Interactions between PHF6 Fibrils and Membranes

The Journal of Physical Chemistry B

DOI

2025

Computational Exploration of the Inhibitory Mechanism of mRNA against the Phase Separation of hnRNPA2 Low Complexity Domains

Journal of Chemical Information and Modeling

DOI

2025

Recent Advances in Co-Condensation and Co-Aggregation of Amyloid Proteins Linked to Neurodegenerative Diseases

Current Protein and Peptide Science

DOI

2025

Pathogenic Mutation ΔK280 Promotes Hydrophobic Interactions Involving Microtubule‐Binding Domain and Enhances Liquid‐Liquid Phase Separation of Tau (Small 6/2025)

Small

DOI

2025

Gaseous Synergistic Self‐Assembly and Arraying to Develop Bio‐Organic Photocapacitors for Neural Photostimulation

Advanced Science

DOI

2024

Recent advances in protein conformation sampling by combining machine learning with molecular simulation

Chinese Physics B

2024

Emerging Frontiers in Conformational Exploration of Disordered Proteins: Integrating Autoencoder and Molecular Simulations

ACS Chemical Neuroscience

DOI

2024

Pathogenic Mutation ΔK280 Promotes Hydrophobic Interactions Involving Microtubule‐Binding Domain and Enhances Liquid‐Liquid Phase Separation of Tau

Small

DOI

2024

Bioinspired functional self-healing hydrogels from a minimalistic dipeptide building block

Journal of Materials Chemistry A

DOI

2024

Multiscale simulations reveal the driving forces of p53C phase separation accelerated by oncogenic mutations

Chemical Science

DOI

2024

Oncogenic R248W mutation induced conformational perturbation of the p53 core domain and the structural protection by proteomimetic amyloid inhibitor ADH-6

Physical Chemistry Chemical Physics

DOI

2024

Elucidating the reversible and irreversible self-assembly mechanisms of low-complexity aromatic-rich kinked peptides and steric zipper peptides

Nanoscale

DOI

2024

Structural diversity in the membrane-bound hIAPP dimer correlated with distinct membrane disruption mechanisms

Physical Chemistry Chemical Physics

DOI

2023

神经退行性疾病相关蛋白病理性聚集和液液相分离研究进展

《合成生物学》

2023

Five similar anthocyanidin molecules display distinct disruptive effects and mechanisms of action on Aβ1–42 protofibril: A molecular dynamic simulation study

International Journal of Biological Macromolecules

DOI

2023

Structural insights into the co-aggregation of Aβ and tau amyloid core peptides: Revealing potential pathological heterooligomers by simulations

International Journal of Biological Macromolecules

DOI

2023

Elucidating the Mechanisms of R248Q Mutation-Enhanced p53 Aggregation and Its Inhibition by Resveratrol

The Journal of Physical Chemistry B

DOI

2023

Dissecting the Effect of ALS Mutation G335D on the Early Aggregation of the TDP-43 Amyloidogenic Core Peptide: Helix-to-β-Sheet Transition and Conformational Shift

Journal of Chemical Information and Modeling

DOI

2023

Probing the Protein Folding Energy Landscape: Dissociation of Amyloid-β Fibrils by Laser-Induced Plasmonic Heating

ACS Nano

DOI

2023

Dissecting the Molecular Mechanisms of the Co-Aggregation of Aβ40 and Aβ42 Peptides: A REMD Simulation Study

The Journal of Physical Chemistry B

DOI

2023

Dissecting how ALS-associated D290V mutation enhances pathogenic aggregation of hnRNPA2286–291 peptides: Dynamics and conformational ensembles

International Journal of Biological Macromolecules

DOI

2023

ALS-Linked A315T and A315E Mutations Enhance β-Barrel Formation of the TDP-43307–319 Hexamer: A REST2 Simulation Study

ACS Chemical Neuroscience

DOI

2023

Influence of ALS ‐linked M337V mutation on the conformational ensembles of TDP‐43 321–340 peptide monomer and dimer

Proteins Structure Function and Bioinformatics

DOI

2023

Molecular Mechanism in the Disruption of Chronic Traumatic Encephalopathy-Related R3–R4 Tau Protofibril by Quercetin and Gallic Acid: Similarities and Differences

ACS Chemical Neuroscience

DOI

2023

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

International Journal of Biological Macromolecules

DOI

2023

Naphthoquinone–dopamine hybrids disrupt α-synuclein fibrils by their intramolecular synergistic interactions with fibrils and display a better effect on fibril disruption

Physical Chemistry Chemical Physics

DOI

2023

Destabilization mechanism of R3–R4 tau protofilament by purpurin: a molecular dynamics study

Physical Chemistry Chemical Physics

DOI

2022

Structural Perturbation of Monomers Determines the Amyloid Aggregation Propensity of Calcitonin Variants

Journal of Chemical Information and Modeling

DOI

2022

Molecular Insights into the Misfolding and Dimerization Dynamics of the Full-Length α-Synuclein from Atomistic Discrete Molecular Dynamics Simulations

ACS Chemical Neuroscience

DOI

2022

Dissecting the Inhibitory Mechanism of the αB-Crystallin Domain against Aβ42 Aggregation and Its Effect on Aβ42 Protofibrils: A Molecular Dynamics Simulation Study

ACS Chemical Neuroscience

DOI

2022

Atomistic Insights into A315E Mutation-Enhanced Pathogenicity of TDP-43 Core Fibrils

ACS Chemical Neuroscience

DOI

2022

Baicalein exhibits differential effects and mechanisms towards disruption of α-synuclein fibrils with different polymorphs

International Journal of Biological Macromolecules

DOI

2022

Molecular Insights into the Self‐Assembly of Block Copolymer Suckerin Polypeptides into Nanoconfined β‐Sheets

Small

DOI

2022

Insights into the Atomistic Mechanisms of Phosphorylation in Disrupting Liquid–Liquid Phase Separation and Aggregation of the FUS Low-Complexity Domain

Journal of Chemical Information and Modeling

DOI

2022

Deciphering the mechanisms of HPV E6 mutations in the destabilization of E6/E6AP/p53 complex

Biophysical Journal

DOI

2022

Molecular insights into the oligomerization dynamics and conformations of amyloidogenic and non-amyloidogenic amylin from discrete molecular dynamics simulations

Physical Chemistry Chemical Physics

DOI

2022

ALS-associated A315E and A315pT variants exhibit distinct mechanisms in inducing irreversible aggregation of TDP-43 312–317 peptides

Physical Chemistry Chemical Physics

DOI

2022

The destructive mechanism of Aβ 1–42 protofibrils by norepinephrine revealed via molecular dynamics simulations

Physical Chemistry Chemical Physics

DOI

2022

Mechanistic insight into the destabilization of p53TD tetramer by cancer-related R337H mutation: a molecular dynamics study

Physical Chemistry Chemical Physics

DOI

2022

Distinct binding interactions trigger opposite conformational modulations on pathogenic and wildtype Huntingtin exon 1 proteins

Physical Chemistry Chemical Physics

DOI

2022

Exploiting Minimalistic Backbone Engineered γ-Phenylalanine for the Formation of Supramolecular Co-Polymer.

Macromolecular rapid communications

DOI

2021

Expanding the Structural Diversity and Functional Scope of Diphenylalanine-Based Peptide Architectures by Hierarchical Coassembly

Journal of the American Chemical Society

DOI

2021

A Comprehensive Insight into the Mechanisms of Dopamine in Disrupting Aβ Protofibrils and Inhibiting Aβ Aggregation

ACS Chemical Neuroscience

DOI

2021

Prediction and characterization of liquid-liquid phase separation of minimalistic peptides

Cell Reports Physical Science

DOI

2021

Unraveling the Allosteric Mechanism of Four Cancer-related Mutations in the Disruption of p53-DNA Interaction

The Journal of Physical Chemistry B

DOI

2021

Nanoengineered Peptide‐Based Antimicrobial Conductive Supramolecular Biomaterial for Cardiac Tissue Engineering

Advanced Materials

DOI

2021

Solid-state packing dictates the unexpected solubility of aromatic peptides

Cell Reports Physical Science

DOI

2021

Mechanistic Insights into the Co-Aggregation of Aβ and hIAPP: An All-Atom Molecular Dynamic Study

The Journal of Physical Chemistry B

DOI

2021

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

Chemical Reviews

DOI

2021

Serotonin and Melatonin Show Different Modes of Action on Aβ42 Protofibril Destabilization

ACS Chemical Neuroscience

DOI

2021

Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine

Biophysical Chemistry

DOI

2021

Molecular mechanisms of resveratrol and EGCG in the inhibition of Aβ 42 aggregation and disruption of Aβ 42 protofibril: similarities and differences

Physical Chemistry Chemical Physics

DOI

2021

Natural stereoisomeric flavonoids exhibit different disruptive effects and the mechanism of action on Aβ 42 protofibril

Chemical Communications

DOI

2021

Heparin remodels the microtubule-binding repeat R3 of Tau protein towards fibril-prone conformations

Physical Chemistry Chemical Physics

DOI

2020

Structural and dynamical mechanisms of a naturally occurring variant of the human prion protein in preventing prion conversion

Chinese Physics B

2020

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

Chemistry and Physics of Lipids

DOI

2020

Epigallocatechin Gallate Destabilizes α-Synuclein Fibril by Disrupting the E46–K80 Salt-Bridge and Inter-protofibril Interface

ACS Chemical Neuroscience

DOI

2020

Computational Investigation of Gantenerumab and Crenezumab Recognition of Aβ Fibrils in Alzheimer’s Disease Brain Tissue

ACS Chemical Neuroscience

DOI

2020

Co‐Assembly between Fmoc Diphenylalanine and Diphenylalanine within a 3D Fibrous Viscous Network Confers Atypical Curvature and Branching

Angewandte Chemie

DOI

2020

Bioinspired Supramolecular Packing Enables High Thermo‐Sustainability

Angewandte Chemie

DOI

2020

Green Tea Extracts EGCG and EGC Display Distinct Mechanisms in Disrupting Aβ42 Protofibril

ACS Chemical Neuroscience

DOI

2020

Investigation of the Dissociation Mechanism of Single-Walled Carbon Nanotube on Mature Amyloid-β Fibrils at Single Nanotube Level

The Journal of Physical Chemistry B

DOI

2020

Pristine and Hydroxylated Fullerenes Prevent the Aggregation of Human Islet Amyloid Polypeptide and Display Different Inhibitory Mechanisms

Frontiers in Chemistry

DOI

2020

Unusual Two‐Step Assembly of a Minimalistic Dipeptide‐Based Functional Hypergelator

Advanced Materials

DOI

2020

Common cancer mutations R175H and R273H drive the p53 DNA-binding domain towards aggregation-prone conformations

Physical Chemistry Chemical Physics

DOI

2020

Expanding the structural diversity of peptide assemblies by coassembling dipeptides with diphenylalanine

Nanoscale

DOI

2019

Mechanically rigid supramolecular assemblies formed from an Fmoc-guanine conjugated peptide nucleic acid

Nature Communications

DOI

2019

Critical nucleus of Greek-key-like core of α-synuclein protofibril and its disruption by dopamine and norepinephrine

Physical Chemistry Chemical Physics

DOI

2019

Molecular Dynamics Simulations Reveal the Inhibitory Mechanism of Dopamine against Human Islet Amyloid Polypeptide (hIAPP) Aggregation and Its Destabilization Effect on hIAPP Protofibrils

ACS Chemical Neuroscience

DOI

2019

Expanding the Functional Scope of the Fmoc‐Diphenylalanine Hydrogelator by Introducing a Rigidifying and Chemically Active Urea Backbone Modification

Advanced Science

DOI

2019

Deciphering the Rules for Amino Acid Co-Assembly Based on Interlayer Distances

ACS Nano

DOI

2019

Norepinephrine Inhibits Alzheimer’s Amyloid-β Peptide Aggregation and Destabilizes Amyloid-β Protofibrils: A Molecular Dynamics Simulation Study

ACS Chemical Neuroscience

DOI

2019

Molecular dynamics simulations reveal the mechanism of graphene oxide nanosheet inhibition of Aβ 1–42 peptide aggregation

Physical Chemistry Chemical Physics

DOI

2019

Influence of fullerenol on hIAPP aggregation: amyloid inhibition and mechanistic aspects

Physical Chemistry Chemical Physics

DOI

2019

Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ 16−22 fibrils: an all-atom simulation study

Physical Chemistry Chemical Physics

DOI

2019

Formation of α-helical and β-sheet structures in membrane-bound human IAPP monomer and the resulting membrane deformation

Physical Chemistry Chemical Physics

DOI

2018

Conformational stability and dynamics of the cancer‐associated isoform Δ133p53β are modulated by p53 peptides and p53‐specific DNA

The FASEB Journal

DOI

2018

Structural disorder in four-repeat Tau fibrils reveals a new mechanism for barriers to cross-seeding of Tau isoforms

Journal of Biological Chemistry

DOI

2018

The Inhibitory Effect of Hydroxylated Carbon Nanotubes on the Aggregation of Human Islet Amyloid Polypeptide Revealed by a Combined Computational and Experimental Study

ACS Chemical Neuroscience

DOI

2018

Structural Polymorphism in a Self-Assembled Tri-Aromatic Peptide System

ACS Nano

DOI

2018

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

Biochimica et Biophysica Acta (BBA) - Biomembranes

DOI

2018

Atomistic-level study of the interactions between hIAPP protofibrils and membranes: Influence of pH and lipid composition

Biochimica et Biophysica Acta (BBA) - Biomembranes

DOI

2018

Dissecting the Structural Mechanism of a Naturally Occuring Variant of the Prion Protein in Preventing Prion Disease

Biophysical Journal

DOI

2018

Self-Assembling ABETA(30-36) Peptides: A Combined All-Atom and Coarse-Grained Simulation Study

Biophysical Journal

DOI

2018

Mechanistic insights into the inhibition and size effects of graphene oxide nanosheets on the aggregation of an amyloid-β peptide fragment

Nanoscale

DOI

2018

The distinct structural preferences of tau protein repeat domains

Chemical Communications

DOI

2018

Dihydrochalcone molecules destabilize Alzheimer's amyloid-β protofibrils through binding to the protofibril cavity

Physical Chemistry Chemical Physics

DOI

2018

Proline hydroxylation at different sites in hypoxia-inducible factor 1α modulates its interactions with the von Hippel–Lindau tumor suppressor protein

Physical Chemistry Chemical Physics

DOI

2017

Orcein-Related Small Molecule O4 Destabilizes hIAPP Protofibrils by Interacting Mostly with the Amyloidogenic Core Region

The Journal of Physical Chemistry B

DOI

2017

Carbon nanotube prevents the secondary structure formation of amyloid-β trimers: an all-atom molecular dynamics study

Molecular Simulation

DOI

2017

Studies of the Interaction between Aβ Peptides and Carbon Nano-Materials

Biophysical Journal

DOI

2017

Binding of protofibrillar Aβ trimers to lipid bilayer surface enhances Aβ structural stability and causes membrane thinning

Physical Chemistry Chemical Physics

DOI

2017

Inhibitory effect of hydrophobic fullerenes on the β-sheet-rich oligomers of a hydrophilic GNNQQNY peptide revealed by atomistic simulations

RSC Advances

DOI

2017

原子論的シミュレーションにより明らかにされた親水性GNNQQNYペプチドのβ‐シート豊富なオリゴマーに及ぼす疎水性フラーレンの阻害効果【Powered by NICT】

2016

Amyloid- β peptide aggregation and the influence of carbon nanoparticles

Chinese Physics B

DOI

2016

Interaction Dynamics in Inhibiting the Aggregation of Aβ Peptides by SWCNTs: A Combined Experimental and Coarse-Grained Molecular Dynamic Simulation Study

ACS Chemical Neuroscience

DOI

2016

Synergistic Inhibitory Effect of Peptide–Organic Coassemblies on Amyloid Aggregation

ACS Nano

DOI

2016

Dancing with Strings: The Conformational Dynamics of VQIXXK Motifs within Tau Protein in Monomer, Fibril and Hyper-Phosphorylated Filament States

Biophysical Journal

DOI

2016

Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell

Chemical Reviews

DOI

2016

The inhibitory mechanism of a fullerene derivative against amyloid-β peptide aggregation: an atomistic simulation study

Physical Chemistry Chemical Physics

DOI

2016

Self-aggregation and coaggregation of the p53 core fragment with its aggregation gatekeeper variant

Physical Chemistry Chemical Physics

DOI

2016

Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragment

Physical Chemistry Chemical Physics

DOI

2016

Single-molecule visualization of dynamic transitions of pore-forming peptides among multiple transmembrane positions

Nature Communications

DOI

2016

Conformational Ensemble of hIAPP Dimer: Insight into the Molecular Mechanism by which a Green Tea Extract inhibits hIAPP Aggregation

Scientific Reports

DOI

2016

Highly Efficient Destruction of Amyloid-β Fibrils by Femtosecond Laser-Induced Nanoexplosion of Gold Nanorods

ACS Chemical Neuroscience

DOI

2016

Expanding the Nanoarchitectural Diversity Through Aromatic Di- and Tri-Peptide Coassembly: Nanostructures and Molecular Mechanisms

ACS Nano

DOI

2016

Conformational dynamics of cancer-associated MyD88-TIR domain mutant L252P (L265P) allosterically tilts the landscape toward homo-dimerization

Protein Engineering Design and Selection

DOI

2015

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

Journal of Diabetes Research

DOI

2015

Amphiphilic Peptides A6K and V6K Display Distinct Oligomeric Structures and Self-Assembly Dynamics: A Combined All-Atom and Coarse-Grained Simulation Study

Biomacromolecules

DOI

2015

Aβ “Stretching-and-Packing” Cross-Seeding Mechanism Can Trigger Tau Protein Aggregation

The Journal of Physical Chemistry Letters

DOI

2015

Tunable assembly of amyloid-forming peptides into nanosheets as a retrovirus carrier

Proceedings of the National Academy of Sciences

DOI

2015

Distinct Helix Propensities and Membrane Interactions of Human and Rat IAPP1–19 Monomers in Anionic Lipid Bilayers

The Journal of Physical Chemistry B

DOI

2015

Editorial overview: Folding and binding: Old concepts, new ideas, novel insights

Current Opinion in Structural Biology

DOI

2015

Atomic-Level Study of the Effects of O4 Molecules on the Structural Properties of Protofibrillar Aβ Trimer: β-Sheet Stabilization, Salt Bridge Protection, and Binding Mechanism

The Journal of Physical Chemistry B

DOI

2015

Effects of Carbon Nanoparticles on the Aggregation of Alzheimers Beta-Amyloid Peptide

Biophysical Journal

DOI

2014

富勒烯与β淀粉样肽低聚体结合的分子动力学模拟

《物理化学学报》

2014

Effects of Hydroxylated Carbon Nanotubes on the Aggregation of A β 16–22 Peptides: A Combined Simulation and Experimental Study

Biophysical Journal

DOI

2014

Structural Insight into Tau Protein’s Paradox of Intrinsically Disordered Behavior, Self-Acetylation Activity, and Aggregation

The Journal of Physical Chemistry Letters

DOI

2014

Interactions of a Water-Soluble Fullerene Derivative with Amyloid-β Protofibrils: Dynamics, Binding Mechanism, and the Resulting Salt-Bridge Disruption

The Journal of Physical Chemistry B

DOI

2014

Investigation of the Aggregation Process of Amyloid-β-(16-22) Peptides and the Dissolution of Intermediate Aggregates

Langmuir

DOI

2014

Single Mutations in Tau Modulate the Populations of Fibril Conformers through Seed Selection

Angewandte Chemie

DOI

2014

Atomistic mechanisms of huntingtin N‐terminal fragment insertion on a phospholipid bilayer revealed by molecular dynamics simulations

Proteins Structure Function and Bioinformatics

DOI

2014

The molecular mechanism of fullerene-inhibited aggregation of Alzheimer's β-amyloid peptide fragment

Nanoscale

DOI

2014

Triphenylalanine peptides self-assemble into nanospheres and nanorods that are different from the nanovesicles and nanotubes formed by diphenylalanine peptides

Nanoscale

DOI

2014

Oligomerization of Huntingtin N-Terminal Fragment on a Phospholipid Bilayer Revealed by Molecular Dynamics Simulations

Biophysical Journal

DOI

2013

Conformational Distribution and α-Helix to β-Sheet Transition of Human Amylin Fragment Dimer

Biomacromolecules

DOI

2013

Aβ(16–22) Peptides Can Assemble into Ordered β-Barrels and Bilayer β-Sheets, while Substitution of Phenylalanine 19 by Tryptophan Increases the Population of Disordered Aggregates

The Journal of Physical Chemistry B

DOI

2013

Membrane Binding and Insertion of a pHLIP Peptide Studied by All-Atom Molecular Dynamics Simulations

International Journal of Molecular Sciences

DOI

2013

STRUCTURAL INSIGHT INTO THE POLYMORPHISM OF NNQNTF PROTOFIBRIL: IMPORTANCE OF INTERFACIAL WATER, POLAR AND AROMATIC RESIDUES

Journal of Theoretical and Computational Chemistry

DOI

2013

Adsorption and Orientation of Human Islet Amyloid Polypeptide (hIAPP) Monomer at Anionic Lipid Bilayers: Implications for Membrane-Mediated Aggregation

International Journal of Molecular Sciences

DOI

2013

Hydrophobic Interaction Drives Surface-Assisted Epitaxial Assembly of Amyloid-like Peptides

Journal of the American Chemical Society

DOI

2013

Sequence Effects on Peptide Assembly Characteristics Observed by Using Scanning Tunneling Microscopy

Journal of the American Chemical Society

DOI

2013

Influence of Au nanoparticles on the aggregation of amyloid-β-(25–35) peptides

Nanoscale

DOI

2013

Molecular insights into the reversible formation of tau protein fibrils

Chemical Communications

DOI

2012

All-Atom Stability and Oligomerization Simulations of Polyglutamine Nanotubes with and without the 17-Amino-Acid N-Terminal Fragment of the Huntingtin Protein

The Journal of Physical Chemistry B

DOI

2012

Probing ion channel activity of human islet amyloid polypeptide (amylin)

Biochimica et Biophysica Acta (BBA) - Biomembranes

DOI

2012

Structural, thermodynamical, and dynamical properties of oligomers formed by the amyloid NNQQ peptide: Insights from coarse-grained simulations

The Journal of Chemical Physics

DOI

2012

Conformational Basis for Asymmetric Seeding Barrier in Filaments of Three- and Four-Repeat Tau

Journal of the American Chemical Society

DOI

2012

Lipid Interaction and Membrane Perturbation of Human Islet Amyloid Polypeptide Monomer and Dimer by Molecular Dynamics Simulations

PLoS ONE

DOI

2012

Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and Nanotubes

ACS Nano

DOI

2012

Cross-seeding and Conformational Selection between Three- and Four-repeat Human Tau Proteins

Journal of Biological Chemistry

DOI

2012

Multiscale Simulation of Polyglutamine and the Effect of Neighboring Amino Acids on Oligomerization

Biophysical Journal

DOI

2011

Effects of cholesterol on pore formation in lipid bilayers induced by human islet amyloid polypeptide fragments: A coarse-grained molecular dynamics study

Physical Review E

DOI

2011

Carbon Nanotube Inhibits the Formation of β-Sheet-Rich Oligomers of the Alzheimer's Amyloid-β(16-22) Peptide

Biophysical Journal

DOI

2011

Atomic-Level Study of Adsorption, Conformational Change, and Dimerization of an α-Helical Peptide at Graphene Surface

The Journal of Physical Chemistry B

DOI

2011

Structure and Thermodynamics of Amylin Dimer Studied by Hamiltonian-Temperature Replica Exchange Molecular Dynamics Simulations

The Journal of Physical Chemistry B

DOI

2010

Interactions of Aβ25−35 β-Barrel-like Oligomers with Anionic Lipid Bilayer and Resulting Membrane Leakage: An All-Atom Molecular Dynamics Study

The Journal of Physical Chemistry B

DOI

2010

Effects of G33A and G33I Mutations on the Structures of Monomer and Dimer of the Amyloid-β Fragment 29−42 by Replica Exchange Molecular Dynamics Simulations

The Journal of Physical Chemistry B

DOI

2010

Plugging into Proteins: Poisoning Protein Function by a Hydrophobic Nanoparticle

ACS Nano

DOI

2010

Effect of the Disulfide Bond on the Monomeric Structure of Human Amylin Studied by Combined Hamiltonian and Temperature Replica Exchange Molecular Dynamics Simulations

The Journal of Physical Chemistry B

DOI

2010

Structural diversity of dimers of the Alzheimer amyloid-β(25–35) peptide and polymorphism of the resulting fibrils

Physical Chemistry Chemical Physics

DOI

2009

Effects of the RGTFEGKF Inhibitor on the Structures of the Transmembrane Fragment 70−86 of Glycophorin A: An All-Atom Molecular Dynamics Study

The Journal of Physical Chemistry B

DOI

2009

Induced β-Barrel Formation of the Alzheimer's Aβ25–35 Oligomers on Carbon Nanotube Surfaces: Implication for Amyloid Fibril Inhibition

Biophysical Journal

DOI

2009

Structural diversity of the soluble trimers of the human amylin(20–29) peptide revealed by molecular dynamics simulations

The Journal of Chemical Physics

DOI

2008

Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent

Proteins Structure Function and Bioinformatics

DOI

2008

The β-Strand-Loop-β-Strand Conformation Is Marginally Populated in β2-Microglobulin (20–41) Peptide in Solution as Revealed by Replica Exchange Molecular Dynamics Simulations

Biophysical Journal

DOI

2008

Self-Assembly of the β2-Microglobulin NHVTLSQ Peptide Using a Coarse-Grained Protein Model Reveals a β-Barrel Species

The Journal of Physical Chemistry B

DOI

2008

Self-assembly of amyloid-forming peptides by molecular dynamics simulations

Frontiers in bioscience

DOI

2007

Structure and Aggregation Mechanism of β2-Microglobulin (83–99) Peptides Studied by Molecular Dynamics Simulations

Biophysical Journal

DOI

2007

Computational Simulations of the Early Steps of Protein Aggregation

Prion

DOI

2006

Effects of Solvent on the Structure of the Alzheimer Amyloid-β(25–35) Peptide

DOI

2004

Complex folding pathways in a simple β‐hairpin

DOI

2004

P1-168 Early steps of amyloid-petide oligomerisation explored by simulations

DOI

2004

Exploring the early steps of aggregation of amyloid-forming peptide KFFE

DOI

2004

Sampling the self-assembly pathways of KFFE hexamers.

Biophysical Journal

DOI

2004

Pathway Complexity of Alzheimer's β-Amyloid Aβ16-22 Peptide Assembly

DOI

2004

Pathway complexity of Alzheimer's beta-amyloid Abeta16-22 peptide assembly.

Structure

2004

Exploring the assembly mechanism of tetrapeptide oligomers using the Activation-Relaxation Technique

2004

Exploring the Folding and Aggregation Mechanisms of Amyloid-Forming Peptides by Computer Simulations

DOI

2003

Sampling the complex energy landscape of a simple β-hairpin

DOI

2003

Protein folding simulations using the activation-relaxation technique

DOI

2003

Exploring the Folding Pathways of Proteins through Energy Landscape Sampling: Application to Alzheimer's E-Amyloid Peptide #

2002

Exploring the energy landscape of proteins: A characterization of the activation-relaxation technique

DOI

2021

Liquid-Liquid Phase Separation of Tau Protein Is Encoded at the Monomeric Level

《2021年全国生物相分离和相变学术研讨会论文集》

DOI

2019

Coexistence of α-helical and β-sheet structures in Membrane-bound human IAPP Indicates Two Distinct Aggregation Mechanisms

《中国化学会第六届全国生物物理化学会议（NCBPC-6）摘要集》

DOI

2010

Inhibition mechanism of amyloid-β(16-22) peptide aggregation by hydrophobic nanoparticle

《第七届全国液体和软物质物理学术会议》

2018

Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example

Methods in molecular biology

DOI

2017

Exploring the Aggregation Mechanism of Intrinsically Disordered Tau Protein

World Scientific lecture and course notes in chemistry

DOI

2013

Molecular Insights into the Assembly of β-Amyloid on Surfaces and Carbon Nanotubes

Modecular medicine and medicinal

DOI

2023

Dataset for computational study of the ALS mutation G335D modulating the dimerization of TDP-43 amyloidogenic core peptide

Zenodo (CERN European Organization for Nuclear Research)

DOI