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Role of Water in Protein Aggregation and Amyloid Polymorphism

Accounts of chemical research, 2012-01, Vol.45 (1), p.83-92

2012

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Toward a molecular theory of early and late events in monomer to amyloid fibril formation

Annual review of physical chemistry, 2011-01, Vol.62 (1), p.437-463

2011

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Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations

The journal of physical chemistry. B, 2014-07, Vol.118 (28), p.7848-7855

2014

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Aerosol-OT Surfactant Forms Stable Reverse Micelles in Apolar Solvent in the Absence of Water

The journal of physical chemistry. B, 2019-03, Vol.123 (11), p.2546-2557

2019

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Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures

The Journal of chemical physics, 2017-09, Vol.147 (9), p.095101-095101

2017

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Sequence Determines the Switch in the Fibril Forming Regions in the Low-Complexity FUS Protein and Its Variants

The journal of physical chemistry letters, 2021-09, Vol.12 (37), p.9026-9032

2021

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Dynamics of Asp23−Lys28 Salt-Bridge Formation in Aβ10-35 Monomers

Journal of the American Chemical Society, 2006-12, Vol.128 (50), p.16159-16168

2006

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Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers

Journal of computational chemistry, 2017-06, Vol.38 (16), p.1479-1488

2017

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Generalized Replica Exchange Method

The Journal of chemical physics, 2010-06, Vol.132 (22), p.224107-224107-10

2010

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Transmembrane Fragment Structures of Amyloid Precursor Protein Depend on Membrane Surface Curvature

Journal of the American Chemical Society, 2014-01, Vol.136 (3), p.854-857

2014

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Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7345-7351

2013

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Replica Exchange Statistical Temperature Molecular Dynamics Algorithm

The journal of physical chemistry. B, 2012-07, Vol.116 (29), p.8646-8653

2012

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Specific Binding of Cholesterol to C99 Domain of Amyloid Precursor Protein Depends Critically on Charge State of Protein

The journal of physical chemistry letters, 2016-09, Vol.7 (18), p.3535-3541

2016

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Thermodynamic Perspective on the Dock−Lock Growth Mechanism of Amyloid Fibrils

The journal of physical chemistry. B, 2009-10, Vol.113 (43), p.14421-14430

2009

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Structural Heterogeneity in Transmembrane Amyloid Precursor Protein Homodimer Is a Consequence of Environmental Selection

Journal of the American Chemical Society, 2014-07, Vol.136 (27), p.9619-9626

2014

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Influence of Nanoparticle Size and Shape on Oligomer Formation of an Amyloidogenic Peptide

The journal of physical chemistry letters, 2011-05, Vol.2 (10), p.1171-1177

2011

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The role of structural heterogeneity in the homodimerization of transmembrane proteins

The Journal of chemical physics, 2023-10, Vol.159 (13)

2023

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Sequence Effects on Size, Shape, and Structural Heterogeneity in Intrinsically Disordered Proteins

The journal of physical chemistry. B, 2019-04, Vol.123 (16), p.3462-3474

2019

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Design, synthesis, and biomedical applications of synthetic sulphated polysaccharides

Chemical Society reviews, 2019-04, Vol.48 (8), p.2338-2365

2019

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Addressing the Excessive Aggregation of Membrane Proteins in the MARTINI Model

Journal of chemical theory and computation, 2021-04, Vol.17 (4), p.2513-2521

2021

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Transmembrane Structures of Amyloid Precursor Protein Dimer Predicted by Replica-Exchange Molecular Dynamics Simulations

Journal of the American Chemical Society, 2009-03, Vol.131 (10), p.3438-3439

2009

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Machine Learning Derived Collective Variables for the Study of Protein Homodimerization in Membrane

Journal of chemical theory and computation, 2024-07, Vol.20 (13), p.5774-5783

2024

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Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method

The Journal of chemical physics, 2013-03, Vol.138 (10), p.104119-104119

2013

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Generalized simulated tempering for exploring strong phase transitions

The Journal of chemical physics, 2010-10, Vol.133 (15), p.154101-154101-12

2010

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Role of Water in Protein Aggregation and Amyloid Polymorphism

Toward a molecular theory of early and late events in monomer to amyloid fibril formation

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

Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations

Aerosol-OT Surfactant Forms Stable Reverse Micelles in Apolar Solvent in the Absence of Water

Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures

Sequence Determines the Switch in the Fibril Forming Regions in the Low-Complexity FUS Protein and Its Variants

Dynamics of Asp23−Lys28 Salt-Bridge Formation in Aβ10-35 Monomers

Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers

Generalized Replica Exchange Method

Transmembrane Fragment Structures of Amyloid Precursor Protein Depend on Membrane Surface Curvature

Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles

Replica Exchange Statistical Temperature Molecular Dynamics Algorithm

Specific Binding of Cholesterol to C99 Domain of Amyloid Precursor Protein Depends Critically on Charge State of Protein

Thermodynamic Perspective on the Dock−Lock Growth Mechanism of Amyloid Fibrils

Structural Heterogeneity in Transmembrane Amyloid Precursor Protein Homodimer Is a Consequence of Environmental Selection

Influence of Nanoparticle Size and Shape on Oligomer Formation of an Amyloidogenic Peptide

The role of structural heterogeneity in the homodimerization of transmembrane proteins

Sequence Effects on Size, Shape, and Structural Heterogeneity in Intrinsically Disordered Proteins

Design, synthesis, and biomedical applications of synthetic sulphated polysaccharides

Addressing the Excessive Aggregation of Membrane Proteins in the MARTINI Model

Transmembrane Structures of Amyloid Precursor Protein Dimer Predicted by Replica-Exchange Molecular Dynamics Simulations

Machine Learning Derived Collective Variables for the Study of Protein Homodimerization in Membrane

Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method

Generalized simulated tempering for exploring strong phase transitions

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