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Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities

Chemical Society reviews, 2016-01, Vol.45 (2), p.412-448

2016

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The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution-accurate computational models and experiment

Journal of physics. Condensed matter, 2014-06, Vol.26 (24), p.244105

Heinz, Hendrik

2014

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Building two-dimensional materials one row at a time: Avoiding the nucleation barrier

Science (American Association for the Advancement of Science), 2018-12, Vol.362 (6419), p.1135-1139

2018

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Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.4975-4992

2016

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Adsorption of biomolecules and polymers on silicates, glasses, and oxides: mechanisms, predictions, and opportunities by molecular simulation

Current opinion in chemical engineering, 2016-02, Vol.11, p.34-41

Heinz, Hendrik

2016

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Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences

ACS nano, 2017-12, Vol.11 (12), p.12805-12816

2017

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Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential

Nature communications, 2018-02, Vol.9 (1), p.716-14, Article 716

2018

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Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

Langmuir, 2013-02, Vol.29 (6), p.1754-1765

2013

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Observing crystal nucleation in four dimensions using atomic electron tomography

Nature (London), 2019-06, Vol.570 (7762), p.500-503

2019

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Single- and multi-component chiral supraparticles as modular enantioselective catalysts

Nature communications, 2019-10, Vol.10 (1), p.4826-10, Article 4826

2019

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Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution

Chemistry of materials, 2014-04, Vol.26 (8), p.2647-2658

2014

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Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

Journal of physical chemistry. C, 2008-11, Vol.112 (44), p.17281-17290

2008

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Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials

npj computational materials, 2021-01, Vol.7 (1), p.1-15, Article 17

2021

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Prediction of Specific Biomolecule Adsorption on Silica Surfaces as a Function of pH and Particle Size

Chemistry of materials, 2014-10, Vol.26 (19), p.5725-5734

2014

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Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

Nature materials, 2015-11, Vol.14 (11), p.1099-1103

2015

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Chemistry of Aqueous Silica Nanoparticle Surfaces and the Mechanism of Selective Peptide Adsorption

Journal of the American Chemical Society, 2012-04, Vol.134 (14), p.6244-6256

2012

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Molecular Mechanism of Specific Recognition of Cubic Pt Nanocrystals by Peptides and of the Concentration-Dependent Formation from Seed Crystals

Advanced functional materials, 2015-03, Vol.25 (9), p.1374-1384

2015

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Molecular Dynamics Modeling of Epoxy Resins Using the Reactive Interface Force Field

Macromolecules, 2021-11, Vol.54 (21), p.9815-9824

2021

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Peptide-Assisted 2‑D Assembly toward Free-Floating Ultrathin Platinum Nanoplates as Effective Electrocatalysts

Nano letters, 2019-06, Vol.19 (6), p.3730-3736

2019

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Facet Recognition and Molecular Ordering of Ionic Liquids on Metal Surfaces

Journal of physical chemistry. C, 2013-12, Vol.117 (49), p.25969-25981

2013

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Tailoring Molecular Specificity Toward a Crystal Facet: a Lesson From Biorecognition Toward Pt{111}

Nano letters, 2013-02, Vol.13 (2), p.840-846

2013

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Long-Range Hierarchical Nanocrystal Assembly Driven by Molecular Structural Transformation

Journal of the American Chemical Society, 2019-01, Vol.141 (4), p.1498-1505

2019

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Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

ACS nano, 2015-05, Vol.9 (5), p.5082-5092

2015

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Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution

Small (Weinheim an der Bergstrasse, Germany), 2012-04, Vol.8 (7), p.1049-1059

2012

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Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

Soft matter, 2011-01, Vol.7 (5), p.2113-2120

2011

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Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities

The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution-accurate computational models and experiment

Building two-dimensional materials one row at a time: Avoiding the nucleation barrier

Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces

Adsorption of biomolecules and polymers on silicates, glasses, and oxides: mechanisms, predictions, and opportunities by molecular simulation

Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences

Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential

Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

Observing crystal nucleation in four dimensions using atomic electron tomography

Single- and multi-component chiral supraparticles as modular enantioselective catalysts

Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials

Prediction of Specific Biomolecule Adsorption on Silica Surfaces as a Function of pH and Particle Size

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

Chemistry of Aqueous Silica Nanoparticle Surfaces and the Mechanism of Selective Peptide Adsorption

Molecular Mechanism of Specific Recognition of Cubic Pt Nanocrystals by Peptides and of the Concentration-Dependent Formation from Seed Crystals

Molecular Dynamics Modeling of Epoxy Resins Using the Reactive Interface Force Field

Peptide-Assisted 2‑D Assembly toward Free-Floating Ultrathin Platinum Nanoplates as Effective Electrocatalysts

Facet Recognition and Molecular Ordering of Ionic Liquids on Metal Surfaces

Tailoring Molecular Specificity Toward a Crystal Facet: a Lesson From Biorecognition Toward Pt{111}

Long-Range Hierarchical Nanocrystal Assembly Driven by Molecular Structural Transformation

Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution

Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

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