Facet selectivity in gold binding peptides: exploiting interfacial water structure

Comparative Study of Materials-Binding Peptide Interactions with Gold and Silver Surfaces and Nanostructures: A Thermodynamic Basis for Biological Selectivity of Inorganic Materials

(2014) J. Pablo Palafox-Hernandez et al.   CHEMISTRY OF MATERIALS

Enthalpy–Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface

(2014) Marta Rosa et al.   Journal of Chemical Theory and Computation

Aqueous Amino Acids and Proteins Near the Surface of Gold in Hydrophilic and Hydrophobic Force Fields

(2014) Grzegorz Nawrocki et al.   Journal of Physical Chemistry C

Accurate Determination of Interfacial Protein Secondary Structure by Combining Interfacial-Sensitive Amide I and Amide III Spectral Signals

(2014) Shuji Ye et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular-Level Understanding of Protein Adsorption at the Interface between Water and a Strongly Interacting Uncharged Solid Surface

(2014) Matthew J. Penna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational Prediction of Circular Dichroism Spectra and Quantification of Helicity Loss upon Peptide Adsorption on Silica

(2014) Robert H. Meißner et al.   LANGMUIR

Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods

(2014) Neyvis Almora-Barrios et al.   NANO LETTERS

Peptide-mediated synthesis of gold nanoparticles: effects of peptide sequence and nature of binding on physicochemical properties

(2014) Yue Li et al.   Nanoscale

Biomolecular Recognition Principles for Bionanocombinatorics: An Integrated Approach To Elucidate Enthalpic and Entropic Factors

(2013) Zhenghua Tang et al.   ACS Nano

Peptide-Directed Synthesis and Assembly of Hollow Spherical CoPt Nanoparticle Superstructures

(2013) Chengyi Song et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Addressable self-immobilization of lactate dehydrogenase across multiple length scales

(2013) Sibel Cetinel et al.   Biotechnology Journal

Surfactant-assisted shape control of copper nanostructures

(2013) Swati De et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Insights on the Facet Specific Adsorption of Amino Acids and Peptides toward Platinum

(2013) Sathish Kumar Ramakrishnan et al.   Journal of Chemical Information and Modeling

GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)

(2013) Louise B. Wright et al.   Journal of Chemical Theory and Computation

Conformational Behavior of Genetically-Engineered Dodecapeptides as a Determinant of Binding Affinity for Gold.

(2013) Stefano Corni et al.   Journal of Physical Chemistry C

Facet Recognition and Molecular Ordering of Ionic Liquids on Metal Surfaces

(2013) Kshitij C. Jha et al.   Journal of Physical Chemistry C

First-Principles-Based Force Field for the Interaction of Proteins with Au(100)(5 × 1): An Extension of GolP-CHARMM

(2013) Louise B. Wright et al.   Journal of Physical Chemistry C

Entropy of Molecular Binding at Solvated Mineral Surfaces

(2013) Colin L. Freeman et al.   Journal of Physical Chemistry C

Facile aqueous synthesis and stabilization of nearly monodispersed gold nanospheres by poly(L-proline)

(2013) Manos Gkikas et al.   JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY

Residue-Dependent Adsorption of Model Oligopeptides on Gold

(2013) Kenan P. Fears et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitative Analysis of the Coverage Density of Br– Ions on Pd{100} Facets and Its Role in Controlling the Shape of Pd Nanocrystals

(2013) Hsin-Chieh Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Free Energy of Adsorption for a Peptide at a Liquid/Solid Interface via Nonequilibrium Molecular Dynamics

(2013) Milan Mijajlovic et al.   LANGMUIR

Biomolecular Adsorption at Aqueous Silver Interfaces: First-Principles Calculations, Polarizable Force-Field Simulations, and Comparisons with Gold

(2013) Zak E. Hughes et al.   LANGMUIR

Exhaustively Sampling Peptide Adsorption with Metadynamics

(2013) Michael Deighan et al.   LANGMUIR

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

(2013) Lingyan Ruan et al.   NANO LETTERS

DNA-mediated nanoparticle crystallization into Wulff polyhedra

(2013) Evelyn Auyeung et al.   NATURE

Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide

(2013) Louise B. Wright et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

(2013) David T. Limmer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electrochemical Studies of Capping Agent Adsorption Provide Insight into the Formation of Anisotropic Gold Nanocrystals

(2012) Brook R. Danger et al.   ACS Nano

Docking of Ubiquitin to Gold Nanoparticles

(2012) Giorgia Brancolini et al.   ACS Nano

Determining Peptide Sequence Effects That Control the Size, Structure, and Function of Nanoparticles

(2012) Ryan Coppage et al.   ACS Nano

Protein-Assisted One-Pot Synthesis and Biofunctionalization of Spherical Gold Nanoparticles for Selective Targeting of Cancer Cells

(2012) Miriam Colombo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biomineralization and Size Control of Stable Calcium Phosphate Core–Protein Shell Nanoparticles: Potential for Vaccine Applications

(2012) David Chiu et al.   BIOCONJUGATE CHEMISTRY

Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-binding Module on Cellulose

(2012) Mark R. Nimlos et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Metadynamics with Adaptive Gaussians

(2012) Davide Branduardi et al.   Journal of Chemical Theory and Computation

Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces

(2012) F. Causa et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations

(2012) Albert Rimola et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitative Measurement of the Surface Self-Diffusion on Au Nanoparticles by Aberration-Corrected Transmission Electron Microscopy

(2012) A. Surrey et al.   NANO LETTERS

Polydopamine-enabled surface functionalization of gold nanorods for cancer cell-targeted imaging and photothermal therapy

(2012) Kvar CL Black et al.   Nanomedicine

Quantification of proteins on gold nanoparticles by combining MALDI-TOF MS and proteolysis

(2012) Soomi Ju et al.   NANOTECHNOLOGY

Protein binding on stepped calcite surfaces: simulations of ovocleidin-17 on calcite {31.16} and {31.8}

(2012) Colin L. Freeman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Concentration-Dependent, Size-Independent Toxicity of Citrate Capped AuNPs in Drosophila melanogaster

(2012) Giuseppe Vecchio et al.   PLoS One

Synthesis of Fivefold Stellate Polyhedral Gold Nanoparticles with {110}-Facets via a Seed-Mediated Growth Method

(2012) Lin Jiang et al.   Small

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

(2012) Jie Feng et al.   Small

Negatively Charged Gold Nanoparticles Inhibit Alzheimer's Amyloid-β Fibrillization, Induce Fibril Dissociation, and Mitigate Neurotoxicity

(2012) Yi-Hung Liao et al.   Small

Peptide-directed co-assembly of nanoprobes on multimaterial patterned solid surfaces

(2012) Marketa Hnilova et al.   Soft Matter

Resistive-pulse measurements with nanopipettes: detection of Au nanoparticles and nanoparticle-bound anti-peanut IgY

(2012) Yixian Wang et al.   Chemical Science

Gold nanoparticles functionalized with therapeutic and targeted peptides for cancer treatment

(2011) Anil Kumar et al.   BIOMATERIALS

How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

(2011) Stefano Piana et al.   BIOPHYSICAL JOURNAL

Fabrication of hierarchical hybrid structures using bio-enabled layer-by-layer self-assembly

(2011) Marketa Hnilova et al.   BIOTECHNOLOGY AND BIOENGINEERING

Engineered nanostructural materials for application in cancer biology and medicine

(2011) Meena Mahmood et al.   JOURNAL OF APPLIED TOXICOLOGY

Single-step fabrication of patterned gold film array by an engineered multi-functional peptide

(2011) Marketa Hnilova et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)

(2011) Lingle Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulations of Ovocleidin-17 Binding to Calcite Surfaces and Its Implications for Eggshell Formation

(2011) Colin L. Freeman et al.   Journal of Physical Chemistry C

Structure of Peptides on Metal Oxide Surfaces Probed by NMR

(2011) Peter A. Mirau et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

(2011) Julian Schneider et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Influence of Amino Acid Sequence and Functionality on the Binding Process of Peptides onto Gold Surfaces

(2011) Jing Yu et al.   LANGMUIR

Mass Spectrometry and Dynamics of Gold Adatoms Observed on the Surface of Size-Selected Au Nanoclusters

(2011) Z. W. Wang et al.   NANO LETTERS

Mutagenic effects of gold nanoparticles induce aberrant phenotypes in Drosophila melanogaster

(2011) Giuseppe Vecchio et al.   Nanomedicine-Nanotechnology Biology and Medicine

Platinum nanocrystals selectively shaped using facet-specific peptide sequences

(2011) Chin-Yi Chiu et al.   Nature Chemistry

Size-Controlled Peptide-Directed Synthesis of Hollow Spherical Gold Nanoparticle Superstructures

(2011) Leekyoung Hwang et al.   Small

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

(2011) Jie Feng et al.   Soft Matter

Peptide-mediated shape- and size-tunable synthesis of gold nanostructures

(2010) Jungok Kim et al.   Acta Biomaterialia

Preparation of 1-D nanoparticle superstructures with tailorable thicknesses using gold-binding peptide conjugates

(2010) Leekyoung Hwang et al.   CHEMICAL COMMUNICATIONS

Tunable Size and Shape Control of Platinum Nanocrystals from a Single Peptide Sequence

(2010) Lauren M. Forbes et al.   CHEMISTRY OF MATERIALS

A Quantitative, Real-Time Assessment of Binding of Peptides and Proteins to Gold Surfaces

(2010) Ori Cohavi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Improved Replica Exchange Method for Native-State Protein Sampling

(2010) Samuel L. C. Moors et al.   Journal of Chemical Theory and Computation

On easy implementation of a variant of the replica exchange with solute tempering in GROMACS

(2010) Tsuyoshi Terakawa et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Expeditious Synthesis and Assembly of Sub-100 nm Hollow Spherical Gold Nanoparticle Superstructures

(2010) Chengyi Song et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preparation of Unique 1-D Nanoparticle Superstructures and Tailoring their Structural Features

(2010) Chun-Long Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarization at metal-biomolecular interfaces in solution

(2010) H. Heinz et al.   Journal of the Royal Society Interface

Understanding the Mechanism of Amino Acid-Based Au Nanoparticle Chain Formation

(2010) Manish Sethi et al.   LANGMUIR

Protein−Nanoparticle Interaction: Identification of the Ubiquitin−Gold Nanoparticle Interaction Site

(2010) Luigi Calzolai et al.   NANO LETTERS

A Molecular Dynamics Simulation of the Stability-Limited Growth Mechanism of Peptide-Mediated Gold-Nanoparticle Synthesis

(2010) Jing Yu et al.   Small

Experimental Studies on the Interactions between Au Nanoparticles and Amino Acids: Bio-Based Formation of Branched Linear Chains

(2009) Manish Sethi et al.   ACS Applied Materials & Interfaces

Interplay of Sequence, Conformation, and Binding at the Peptide−Titania Interface as Mediated by Water

(2009) Adam A. Skelton et al.   ACS Applied Materials & Interfaces

Nanogold: A Quantitative Phase Map

(2009) Amanda S. Barnard et al.   ACS Nano

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics

(2009) M. Bonomi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Potential of mean force calculation of the free energy of adsorption of Type I winter flounder antifreeze protein on ice

(2009) Keith Battle et al.   JOURNAL OF CRYSTAL GROWTH

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

(2009) Hendrik Heinz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation

(2009) R. B. Pandey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics

(2008) Feng Wang et al.   Biointerphases

Molecular Specifications of a Mineral Modulation Sequence Derived from the Aragonite-Promoting Protein n16

(2008) Sebastiano Collino et al.   BIOMACROMOLECULES

Estimation of microscopic averages from metadynamics

(2008) G. Tiana   EUROPEAN PHYSICAL JOURNAL B

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

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

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C

A New Peptide-Based Method for the Design and Synthesis of Nanoparticle Superstructures: Construction of Highly Ordered Gold Nanoparticle Double Helices

(2008) Chun-Long Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Molecular Conformations on the Adsorption Behavior of Gold-Binding Peptides

(2008) Marketa Hnilova et al.   LANGMUIR

Shape and surface structure of gold nanoparticles under oxidizing conditions

(2008) Hongqing Shi et al.   PHYSICAL REVIEW B