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Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‑D Water Model and the Representativeness of Protein Disorder Models

Journal of chemical theory and computation, 2016-07, Vol.12 (7), p.3407-3415

2016

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Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment

Journal of chemical theory and computation, 2015-07, Vol.11 (7), p.3420-3431

2015

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Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining

Journal of chemical information and modeling, 2023-07, Vol.63 (13), p.4079-4087

2023

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Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins: A Force Field Comparison

International journal of molecular sciences, 2021-09, Vol.22 (18), p.10174

2021

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Phosphorylation of a Disordered PeptideStructural Effects and Force Field Inconsistencies

Journal of chemical theory and computation, 2020-03, Vol.16 (3), p.1924-1935

2020

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The Effect of Multisite Phosphorylation on the Conformational Properties of Intrinsically Disordered Proteins

International journal of molecular sciences, 2021-10, Vol.22 (20), p.11058

2021

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Evaluating Models of Varying Complexity of Crowded Intrinsically Disordered Protein Solutions Against SAXS

Journal of chemical theory and computation, 2019-12, Vol.15 (12), p.6968-6983

2019

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Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins

Journal of chemical information and modeling, 2024-08, Vol.64 (15), p.6105-6114

2024

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Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity

Journal of chemical theory and computation, 2021-10, Vol.17 (10), p.6634-6646

2021

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Self-Diffusive Properties of the Intrinsically Disordered Protein Histatin 5 and the Impact of Crowding Thereon: A Combined Neutron Spectroscopy and Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2022-02, Vol.126 (4), p.789-801

2022

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Translocation of Antimicrobial Peptides across Model Membranes: The Role of Peptide Chain Length

Molecular pharmaceutics, 2024-08, Vol.21 (8), p.4082-4097

2024

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The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions

The journal of physical chemistry. B, 2020-12, Vol.124 (52), p.11843-11853

2020

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Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions

Journal of molecular biology, 2018-08, Vol.430 (16), p.2478-2492

2018

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Impact of Arginine–Phosphate Interactions on the Reentrant Condensation of Disordered Proteins

Biomacromolecules, 2021-04, Vol.22 (4), p.1532-1544

2021

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Exploring the Functional Landscape of the p53 Regulatory Domain: The Stabilizing Role of Post-Translational Modifications

Journal of chemical theory and computation, 2024-07, Vol.20 (14), p.5842-5853

2024

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Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53: A Molecular Dynamics Investigation

Journal of chemical theory and computation, 2024-02, Vol.20 (3), p.1423-1433

2024

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Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes: The Role of Histidines

Langmuir, 2023-06, Vol.39 (22), p.7694-7706

2023

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Coarse-grained modeling of the intrinsically disordered protein Histatin 5 in solution: Monte Carlo simulations in combination with SAXS

Proteins, structure, function, and bioinformatics, 2016-06, Vol.84 (6), p.777-791

2016

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Integrating All-Atom and Coarse-Grained SimulationsToward Understanding of IDPs at Surfaces

Journal of chemical theory and computation, 2020-03, Vol.16 (3), p.1843-1853

2020

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On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations

Journal of molecular biology, 2018-08, Vol.430 (16), p.2521-2539

2018

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Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose

Langmuir, 2023-10, Vol.39 (42), p.15014-15021

2023

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Adsorption of polyelectrolyte-like proteins to silica surfaces and the impact of pH on the response to ionic strength. A Monte Carlo simulation and ellipsometry study

Journal of colloid and interface science, 2017-05, Vol.494, p.266-273

2017

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Self-association of a highly charged arginine-rich cell-penetrating peptide

Proceedings of the National Academy of Sciences - PNAS, 2017-10, Vol.114 (43), p.11428-11433

2017

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Polyelectrolyte-Nanoplatelet Complexation: Is It Possible to Predict the State Diagram?

International journal of molecular sciences, 2019-12, Vol.20 (24), p.6217

2019

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Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution

Journal of colloid and interface science, 2021-01, Vol.581, p.669-681

2021

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Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‑D Water Model and the Representativeness of Protein Disorder Models

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment

Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining

Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins: A Force Field Comparison

Phosphorylation of a Disordered PeptideStructural Effects and Force Field Inconsistencies

The Effect of Multisite Phosphorylation on the Conformational Properties of Intrinsically Disordered Proteins

Evaluating Models of Varying Complexity of Crowded Intrinsically Disordered Protein Solutions Against SAXS

Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins

Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity

Self-Diffusive Properties of the Intrinsically Disordered Protein Histatin 5 and the Impact of Crowding Thereon: A Combined Neutron Spectroscopy and Molecular Dynamics Simulation Study

Translocation of Antimicrobial Peptides across Model Membranes: The Role of Peptide Chain Length

The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions

Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions

Impact of Arginine–Phosphate Interactions on the Reentrant Condensation of Disordered Proteins

Exploring the Functional Landscape of the p53 Regulatory Domain: The Stabilizing Role of Post-Translational Modifications

Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53: A Molecular Dynamics Investigation

Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes: The Role of Histidines

Coarse-grained modeling of the intrinsically disordered protein Histatin 5 in solution: Monte Carlo simulations in combination with SAXS

Integrating All-Atom and Coarse-Grained SimulationsToward Understanding of IDPs at Surfaces

On the Calculation of SAXS Profiles of Folded and Intrinsically Disordered Proteins from Computer Simulations

Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose

Adsorption of polyelectrolyte-like proteins to silica surfaces and the impact of pH on the response to ionic strength. A Monte Carlo simulation and ellipsometry study

Self-association of a highly charged arginine-rich cell-penetrating peptide

Polyelectrolyte-Nanoplatelet Complexation: Is It Possible to Predict the State Diagram?

Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution

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