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Computational Studies of Protein Aggregation: Methods and Applications

Annual review of physical chemistry, 2015-04, Vol.66 (1), p.643-666

2015

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Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

Journal of molecular biology, 2021-05, Vol.433 (11), p.166841-166841, Article 166841

2021

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Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions

eLife, 2019-04, Vol.8

2019

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A New Transfer Free Energy Based Implicit Solvation Model for the Description of Disordered and Folded Proteins

The journal of physical chemistry. B, 2022-08, Vol.126 (33), p.6180-6190

2022

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Binding of Congo Red to Amyloid Protofibrils of the Alzheimer Aβ9–40 Peptide Probed by Molecular Dynamics Simulations

Biophysical journal, 2012-08, Vol.103 (3), p.550-557

2012

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Hydrophobicity of arginine leads to reentrant liquid-liquid phase separation behaviors of arginine-rich proteins

Nature communications, 2022-11, Vol.13 (1), p.7326-15, Article 7326

2022

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Liquid–liquid phase separation of Tau by self and complex coacervation

Protein science, 2021-07, Vol.30 (7), p.1393-1407

2021

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Regulation and aggregation of intrinsically disordered peptides

Proceedings of the National Academy of Sciences - PNAS, 2015-03, Vol.112 (9), p.2758-2763

2015

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Structural similarities and differences between amyloidogenic and non-amyloidogenic islet amyloid polypeptide (IAPP) sequences and implications for the dual physiological and pathological activities of these peptides

PLoS computational biology, 2013-08, Vol.9 (8), p.e1003211

2013

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The proline-rich domain promotes Tau liquid-liquid phase separation in cells

The Journal of cell biology, 2020-11, Vol.219 (11), p.1

2020

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Protein Stability in TMAO and Mixed Urea–TMAO Solutions

The journal of physical chemistry. B, 2020-07, Vol.124 (29), p.6181-6197

2020

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Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism

The journal of physical chemistry. B, 2018-12, Vol.122 (49), p.11390-11399

2018

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Dehydration entropy drives liquid-liquid phase separation by molecular crowding

Communications chemistry, 2020-06, Vol.3 (1), p.83-83, Article 83

2020

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Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3

The journal of physical chemistry. B, 2015-04, Vol.119 (13), p.4582-4593

2015

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Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

Proceedings of the National Academy of Sciences - PNAS, 2016-04, Vol.113 (16), p.4332-4337

2016

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Spontaneous Transition of Spherical Coacervate to Vesicle‐Like Compartment

Advanced science, 2024-02, Vol.11 (7), p.e2305978-n/a

2024

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Insights into Aβ aggregation: a molecular dynamics perspective

Current topics in medicinal chemistry, 2012-11, Vol.12 (22), p.2596-2610

2012

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Signature of an aggregation-prone conformation of tau

Scientific reports, 2017-03, Vol.7 (1), p.44739-44739, Article 44739

2017

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Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations

Journal of the American Chemical Society, 2014-10, Vol.136 (39), p.13582-13585

2014

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Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide–Insulin Interactions

Journal of the American Chemical Society, 2014-09, Vol.136 (37), p.12912-12919

2014

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Simulating Biomolecules: Festschrift to commemorate the 60th birthday of Charles L. Brooks III

Journal of computational chemistry, 2017-06, Vol.38 (15), p.1111-1113

2017

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Heightened Cold-Denaturation of Proteins at the Ice–Water Interface

Journal of the American Chemical Society, 2020-03, Vol.142 (12), p.5722-5730

2020

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Systematic derivation of implicit solvent models for the study of polymer collapse

Journal of computational chemistry, 2017-06, Vol.38 (16), p.1353-1361

2017

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What Determines the Structure and Stability of KFFE Monomers, Dimers, and Protofibrils?

Biophysical journal, 2009-02, Vol.96 (3), p.875-886

2009

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Role of the familial Dutch mutation E22Q in the folding and aggregation of the 15-28 fragment of the Alzheimer amyloid-β protein

Proceedings of the National Academy of Sciences - PNAS, 2008-04, Vol.105 (16), p.6027-6032

2008

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Computational Studies of Protein Aggregation: Methods and Applications

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions

A New Transfer Free Energy Based Implicit Solvation Model for the Description of Disordered and Folded Proteins

Binding of Congo Red to Amyloid Protofibrils of the Alzheimer Aβ9–40 Peptide Probed by Molecular Dynamics Simulations

Hydrophobicity of arginine leads to reentrant liquid-liquid phase separation behaviors of arginine-rich proteins

Liquid–liquid phase separation of Tau by self and complex coacervation

Regulation and aggregation of intrinsically disordered peptides

Structural similarities and differences between amyloidogenic and non-amyloidogenic islet amyloid polypeptide (IAPP) sequences and implications for the dual physiological and pathological activities of these peptides

The proline-rich domain promotes Tau liquid-liquid phase separation in cells

Protein Stability in TMAO and Mixed Urea–TMAO Solutions

Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism

Dehydration entropy drives liquid-liquid phase separation by molecular crowding

Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3

Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

Spontaneous Transition of Spherical Coacervate to Vesicle‐Like Compartment

Insights into Aβ aggregation: a molecular dynamics perspective

Signature of an aggregation-prone conformation of tau

Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations

Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide–Insulin Interactions

Simulating Biomolecules: Festschrift to commemorate the 60th birthday of Charles L. Brooks III

Heightened Cold-Denaturation of Proteins at the Ice–Water Interface

Systematic derivation of implicit solvent models for the study of polymer collapse

What Determines the Structure and Stability of KFFE Monomers, Dimers, and Protofibrils?

Role of the familial Dutch mutation E22Q in the folding and aggregation of the 15-28 fragment of the Alzheimer amyloid-β protein

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