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Second critical point in two realistic models of water

Science (American Association for the Advancement of Science), 2020-07, Vol.369 (6501), p.289-292

2020

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ALS Mutations Disrupt Phase Separation Mediated by α-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain

Structure (London), 2016-09, Vol.24 (9), p.1537-1549

2016

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Molecular interactions underlying liquid-liquid phase separation of the FUS low-complexity domain

Nature structural & molecular biology, 2019-07, Vol.26 (7), p.637

2019

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Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation

Journal of chemical theory and computation, 2024-02, Vol.20 (4), p.1646-1655

Zerze, Gül H.

2024

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Evolution of All-Atom Protein Force Fields to Improve Local and Global Properties

The journal of physical chemistry letters, 2019-05, Vol.10 (9), p.2227-2234

2019

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Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding

The journal of physical chemistry. B, 2023-06, Vol.127 (21), p.4722-4732

2023

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TDP-43 α-helical structure tunes liquid–liquid phase separation and function

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (11), p.5883-5894

2020

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Thermodynamics of DNA Hybridization from Atomistic Simulations

The journal of physical chemistry. B, 2021-01, Vol.125 (3), p.771-779

2021

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Sequence- and Temperature-Dependent Properties of Unfolded and Disordered Proteins from Atomistic Simulations

The journal of physical chemistry. B, 2015-11, Vol.119 (46), p.14622-14630

2015

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A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States

The journal of physical chemistry. B, 2021-12, Vol.125 (50), p.13685-13695

2021

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The Handedness of DNA Assembly around Carbon Nanotubes Is Determined by the Chirality of DNA

The journal of physical chemistry. B, 2020-07, Vol.124 (26), p.5362-5369

2020

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Highly Disordered Amyloid-β Monomer Probed by Single-Molecule FRET and MD Simulation

Biophysical journal, 2018-02, Vol.114 (4), p.870-884

2018

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Interplay Between Membrane Composition and Structural Stability of Membrane-Bound hIAPP

The journal of physical chemistry. B, 2017-09, Vol.121 (37), p.8661-8668

2017

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Inferring properties of disordered chains from FRET transfer efficiencies

The Journal of chemical physics, 2018-03, Vol.148 (12), p.123329-123329

2018

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Free Energy Surface of an Intrinsically Disordered Protein: Comparison between Temperature Replica Exchange Molecular Dynamics and Bias-Exchange Metadynamics

Journal of chemical theory and computation, 2015-06, Vol.11 (6), p.2776-2782

2015

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Molecular Simulations Indicate Marked Differences in the Structure of Amylin Mutants, Correlated with Known Aggregation Propensity

The journal of physical chemistry. B, 2013-12, Vol.117 (50), p.16066-16075

2013

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Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure

The journal of physical chemistry. B, 2018-06, Vol.122 (24), p.6357-6363

2018

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Effect of O‑Linked Glycosylation on the Equilibrium Structural Ensemble of Intrinsically Disordered Polypeptides

The journal of physical chemistry. B, 2015-12, Vol.119 (51), p.15583-15592

2015

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Computational modeling highlights the role of the disordered Formin Homology 1 domain in profilin‐actin transfer

FEBS letters, 2018-06, Vol.592 (11), p.1804-1816

2018

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Modest Influence of FRET Chromophores on the Properties of Unfolded Proteins

Biophysical journal, 2014-10, Vol.107 (7), p.1654-1660

2014

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Effect of heterochiral inversions on the structure of a β‐hairpin peptide

Proteins, structure, function, and bioinformatics, 2019-07, Vol.87 (7), p.569-578

2019

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Recombinant protein production in Pichia pastoris under glyceraldehyde-3-phosphate dehydrogenase promoter: From carbon source metabolism to bioreactor operation parameters

Biochemical engineering journal, 2015-03, Vol.95, p.20-36

2015

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A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States

The journal of physical chemistry. B, 2021-12, Vol.125 (50)

2021

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Computational investigation of retro‐isomer equilibrium structures: Intrinsically disordered, foldable, and cyclic peptides

FEBS letters, 2020-01, Vol.594 (1), p.104-113

2020

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To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces?

Langmuir, 2015-11, Vol.31 (44), p.12223-12230

2015

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Second critical point in two realistic models of water

ALS Mutations Disrupt Phase Separation Mediated by α-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain

Molecular interactions underlying liquid-liquid phase separation of the FUS low-complexity domain

Optimizing the Martini 3 Force Field Reveals the Effects of the Intricate Balance between Protein–Water Interaction Strength and Salt Concentration on Biomolecular Condensate Formation

Evolution of All-Atom Protein Force Fields to Improve Local and Global Properties

Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding

TDP-43 α-helical structure tunes liquid–liquid phase separation and function

Thermodynamics of DNA Hybridization from Atomistic Simulations

Sequence- and Temperature-Dependent Properties of Unfolded and Disordered Proteins from Atomistic Simulations

A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States

The Handedness of DNA Assembly around Carbon Nanotubes Is Determined by the Chirality of DNA

Highly Disordered Amyloid-β Monomer Probed by Single-Molecule FRET and MD Simulation

Interplay Between Membrane Composition and Structural Stability of Membrane-Bound hIAPP

Inferring properties of disordered chains from FRET transfer efficiencies

Free Energy Surface of an Intrinsically Disordered Protein: Comparison between Temperature Replica Exchange Molecular Dynamics and Bias-Exchange Metadynamics

Molecular Simulations Indicate Marked Differences in the Structure of Amylin Mutants, Correlated with Known Aggregation Propensity

Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure

Effect of O‑Linked Glycosylation on the Equilibrium Structural Ensemble of Intrinsically Disordered Polypeptides

Computational modeling highlights the role of the disordered Formin Homology 1 domain in profilin‐actin transfer

Modest Influence of FRET Chromophores on the Properties of Unfolded Proteins

Effect of heterochiral inversions on the structure of a β‐hairpin peptide

Recombinant protein production in Pichia pastoris under glyceraldehyde-3-phosphate dehydrogenase promoter: From carbon source metabolism to bioreactor operation parameters

A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States

Computational investigation of retro‐isomer equilibrium structures: Intrinsically disordered, foldable, and cyclic peptides

To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces?

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