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

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Computational modeling and experimental synthesis of BSA-coated bimetallic theranostic MnO₂-Au@curcumin nanoplatform for synergistic radiochemotherapy of breast cancer

inferred← citeshttps://doi.org/10.1016/j.jcis.2014.08.045openalex-snapshot

Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions

inferred← citeshttps://doi.org/10.1016/j.md.2015.10.003openalex-snapshot

Identification of peptide adsorbates for strong nanoparticle–nanoparticle binding by lattice protein simulations

inferred← citeshttps://doi.org/10.1016/j.msec.2020.111461openalex-snapshot

A new mechanism for reduced cell adhesion: Adsorption dynamics of collagen on a nanoporous gold surface

inferred← citeshttps://doi.org/10.1016/j.mtphys.2024.101441openalex-snapshot

Towards local tracking of solvated metal ions at solid-liquid interfaces

inferred← citeshttps://doi.org/10.1016/j.sbsr.2018.02.004openalex-snapshot

A novel technique for detection of biomolecules and its aqueous concentration using a double gate graphene field effect transistor

inferred← citeshttps://doi.org/10.1016/j.sbsr.2026.100976openalex-snapshot

Detection of cyclohexane and xylene with insect odorant-binding protein-derived peptide receptors

inferred← citeshttps://doi.org/10.1016/j.susc.2014.01.018openalex-snapshot

Chiral effects in amino acid adsorption on Au(111): A comparison of cysteine, homocysteine and methionine

inferred← citeshttps://doi.org/10.1016/j.susc.2018.07.006openalex-snapshot

Unravelling the GLY-PRO-GLU tripeptide induced reconstruction of the Au(110) surface at the molecular scale

inferred← citeshttps://doi.org/10.1016/j.talanta.2019.120154openalex-snapshot

Highly sensitive and selective detection of single-nucleotide polymorphisms using gold nanoparticle MutS enzymes and a micro cantilever resonator

inferred← citeshttps://doi.org/10.1017/s0033583515000256openalex-snapshot

Modeling and simulation of protein–surface interactions: achievements and challenges

inferred← citeshttps://doi.org/10.1021/acs.accounts.7b00065openalex-snapshot

Pathways to Structure–Property Relationships of Peptide–Materials Interfaces: Challenges in Predicting Molecular Structures

inferred← citeshttps://doi.org/10.1021/acs.bioconjchem.6b00587openalex-snapshot

Characterizing Self-Assembled Monolayers on Gold Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.biomac.5c01069openalex-snapshot

Organization of Resilin-like Peptides in Three Dimensions Using Au Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.chemmater.1c00454openalex-snapshot

Symmetry Breaking in Seed-Mediated Silver Nanorod Growth Induced by Dimethyl Sulfoxide

inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00139openalex-snapshot

Biointerface Structural Effects on the Properties and Applications of Bioinspired Peptide-Based Nanomaterials

inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00689openalex-snapshot

First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach

inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00794openalex-snapshot

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00506openalex-snapshot

Fast Generation of Machine Learning-Based Force Fields for Adsorption Energies

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00627openalex-snapshot

A Martini Coarse Grained Model of Citrate-Capped Gold Nanoparticles Interacting with Lipid Bilayers

inferred← citeshttps://doi.org/10.1021/acs.jctc.5c00945openalex-snapshot

Development of an AMBER-Compatible Force Field for Gold Nanoclusters Protected by N -Heterocyclic Carbenes

inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00255openalex-snapshot

Hybrid Complex Polarization Propagator/Molecular Mechanics Method for Heterogeneous Environments

inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00612openalex-snapshot

Evaluation and Optimization of Interface Force Fields for Water on Gold Surfaces

inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00362openalex-snapshot

Molecular Dynamics Simulation of Polarizable Gold Nanoparticles Interacting with Sodium Citrate

inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00992openalex-snapshot

Adsorption of Amino Acids on Gold: Assessing the Accuracy of the GolP-CHARMM Force Field and Parametrization of Au–S Bonds

inferred← citeshttps://doi.org/10.1021/acs.jpca.2c02514openalex-snapshot

Development of Classical Force Fields for Interfaces between Single Molecules and Au

inferred← citeshttps://doi.org/10.1021/acs.jpca.3c05560openalex-snapshot

Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces

inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c05156openalex-snapshot

Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces

inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c09525openalex-snapshot

Multiscale Modeling of Bio-Nano Interactions of Zero-Valent Silver Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.jpcb.2c02638openalex-snapshot

Molecular Driving Force for Facet Selectivity of Sequence-Defined Amphiphilic Peptoids at Au–Water Interfaces

inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c00771openalex-snapshot

Multilayer Model of Gold Nanoparticles (AuNPs) and Its Application in the Classical Molecular Dynamics Simulation of Citrate-Capped AuNPs

inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b03976openalex-snapshot

Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies

inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b11471openalex-snapshot

AOT Bilayer Adsorption on Gold Surfaces: A Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c11248openalex-snapshot

Adsorption of Amino Acids at the Gold/Aqueous Interface: Effect of an External Electric Field

inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c04910openalex-snapshot

Helmholtz Capacitance of Aqueous NaCl Solutions at the Au(100) Electrode from Polarizable and Nonpolarizable Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b00380openalex-snapshot

Structure and Chirality in Sulfur-Containing Amino Acids Adsorbed on Au(111) Surfaces

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b04347openalex-snapshot

Molecular Dynamics Simulations Using a Capacitance–Polarizability Force Field

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b07581openalex-snapshot

Molecular Simulations of Cytochrome c Adsorption on a Bare Gold Surface: Insights for the Hindrance of Electron Transfer

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b07701openalex-snapshot

Control of Protein Orientation on Gold Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b08648openalex-snapshot

Connectivity-Based Biocompatible Force Field for Thiolated Gold Nanoclusters

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c03478openalex-snapshot

Role of Surface Coordination and Thiol–Amine Cooperative Interactions in Cysteine Adsorption on Nanostructured Gold

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c08601openalex-snapshot

Atomistic Simulations of Fe(CO) 5 Fragmentation Dynamics on a Substrate

inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b03523openalex-snapshot

Adsorption of Protein on a Au Surface Studied by All-Atom Atomistic Simulations

inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b06046openalex-snapshot

Peptide Sequence Effects Control the Single Pot Reduction, Nucleation, and Growth of Au Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b03861openalex-snapshot

Electrode/Electrolyte Interface in the Li–O2 Battery: Insight from Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07861openalex-snapshot

Interaction of Alkylamines with Cu Surfaces: A Metal–Organic Many-Body Force Field

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b02392openalex-snapshot

Peptide-Mediated Growth and Dispersion of Au Nanoparticles in Water via Sequence Engineering

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05860openalex-snapshot

Distinct Differences in Peptide Adsorption on Palladium and Gold: Introducing a Polarizable Model for Pd(111)

inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c02686openalex-snapshot

Coherent Electron Transport across a 3 nm Bioelectronic Junction Made of Multi-Heme Proteins

inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c03361openalex-snapshot

Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions

inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c02230openalex-snapshot

Structural, Solvent, and Temperature Effects on Protein Junction Conductance

inferred← citeshttps://doi.org/10.1021/acs.jpclett.5b02746openalex-snapshot

Decaheme Cytochrome MtrF Adsorption and Electron Transfer on Gold Surface

inferred← citeshttps://doi.org/10.1021/acs.langmuir.1c01774openalex-snapshot

Between Two Walls: Modeling the Adsorption Behavior of β-Glucosidase A on Bare and SAM-Functionalized Gold Surfaces

inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c01577openalex-snapshot

Anisotropic Gold Nanomaterial Synthesis Using Peptide Facet Specificity and Timed Intervention

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b00084openalex-snapshot

Biodirected Synthesis and Nanostructural Characterization of Anisotropic Gold Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c00930openalex-snapshot

Unique Complex Structure and Mechanism of Physisorption of Defect-Free Cyclic Poly(ethylene glycol) onto Gold Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.langmuir.6b04383openalex-snapshot

Computational and Experimental Investigation of the Structure of Peptide Monolayers on Gold Nanoparticles

inferred← citeshttps://doi.org/10.1021/acs.langmuir.6b04558openalex-snapshot

Facet-Specific Adsorption of Tripeptides at Aqueous Au Interfaces: Open Questions in Reconciling Experiment and Simulation

inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c01374openalex-snapshot

Design Rules for Selective Peptide Amphiphile-Gold Nanoparticle Interactions from Atomistic Simulations

inferred← citeshttps://doi.org/10.1021/acs.langmuir.7b01102openalex-snapshot

Structure, Dynamics, and Electron Transfer of Azurin Bound to a Gold Electrode

inferred← citeshttps://doi.org/10.1021/acs.langmuir.7b02480openalex-snapshot

Adsorption of DNA Fragments at Aqueous Graphite and Au(111) via Integration of Experiment and Simulation

inferred← citeshttps://doi.org/10.1021/acs.langmuir.8b00065openalex-snapshot

Adsorption Mechanisms of Nucleobases on the Hydrated Au(111) Surface

inferred← citeshttps://doi.org/10.1021/acs.langmuir.8b01809openalex-snapshot

Experimental and Computational Characterization of the Interaction between Gold Nanoparticles and Polyamidoamine Dendrimers

inferred← citeshttps://doi.org/10.1021/acs.langmuir.8b02563openalex-snapshot

Gold Binding Peptide Identified from Microfluidic Biopanning: An Experimental and Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1021/acs.langmuir.8b03680openalex-snapshot

Adsorption of Collagen-like Peptides onto Gold Nanosurfaces

inferred← citeshttps://doi.org/10.1021/acs.langmuir.9b03121openalex-snapshot

A Bespoke Force Field To Describe Biomolecule Adsorption at the Aqueous Boron Nitride Interface

inferred← citeshttps://doi.org/10.1021/acsami.2c14748openalex-snapshot

Enhanced Label-Free Nanoplasmonic Cytokine Detection in SARS-CoV-2 Induced Inflammation Using Rationally Designed Peptide Aptamer

inferred← citeshttps://doi.org/10.1021/acsami.4c17794openalex-snapshot

Ultrashort Peptides as Stabilizing Agents for Colloidal Nanogold

inferred← citeshttps://doi.org/10.1021/acsami.5b11989openalex-snapshot

Optical Actuation of Inorganic/Organic Interfaces: Comparing Peptide-Azobenzene Ligand Reconfiguration on Gold and Silver Nanoparticles

inferred← citeshttps://doi.org/10.1021/acsami.6b04449openalex-snapshot

Simple and Flexible Model for Laser-Driven Antibody–Gold Surface Interactions: Functionalization and Sensing

inferred← citeshttps://doi.org/10.1021/acsami.6b16593openalex-snapshot

Interfacial Mechanical Properties of Graphene on Self-Assembled Monolayers: Experiments and Simulations

inferred← citeshttps://doi.org/10.1021/acsami.8b10582openalex-snapshot

Optical Control of Nanoparticle Catalysis Influenced by Photoswitch Positioning in Hybrid Peptide Capping Ligands

inferred← citeshttps://doi.org/10.1021/acsanm.1c03658openalex-snapshot

DNA-Based Gold Nanoparticle Sensor for Bladder Cancer Detection

inferred← citeshttps://doi.org/10.1021/acscentsci.6b00217openalex-snapshot

Protein–Ligand Interaction Detection with a Novel Method of Transient Induced Molecular Electronic Spectroscopy (TIMES): Experimental and Theoretical Studies

inferred← citeshttps://doi.org/10.1021/acsnano.1c07298openalex-snapshot

Tuning Materials-Binding Peptide Sequences toward Gold- and Silver-Binding Selectivity with Bayesian Optimization

inferred← citeshttps://doi.org/10.1021/acsnano.1c08890openalex-snapshot

Nanoengineered Sprayable Therapy for Treating Myocardial Infarction

inferred← citeshttps://doi.org/10.1021/acsnano.5b00168openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/acsnano.6b03963openalex-snapshot

Peptide-Directed PdAu Nanoscale Surface Segregation: Toward Controlled Bimetallic Architecture for Catalytic Materials

inferred← citeshttps://doi.org/10.1021/acsomega.0c04071openalex-snapshot

Coarse-Grained Simulation of the Adsorption of Water on Au(111) Surfaces Using a Modified Stillinger–Weber Potential

inferred← citeshttps://doi.org/10.1021/acsomega.4c10450openalex-snapshot

Molecular Dynamics Study on the Influence of the CLK Motif on the Structural Stability of Collagen-Like Peptides Adsorbed on Gold Nanosurfaces

inferred← citeshttps://doi.org/10.1021/am502119gopenalex-snapshot

Structure of Arginine Overlayers at the Aqueous Gold Interface: Implications for Nanoparticle Assembly

inferred← citeshttps://doi.org/10.1021/cm501529uopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/ct4002416openalex-snapshot

Interaction of Nucleic Acid Bases with the Au(111) Surface

inferred← citeshttps://doi.org/10.1021/ct400897sopenalex-snapshot

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments

inferred← citeshttps://doi.org/10.1021/ct401117gopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/ct500579nopenalex-snapshot

Two-Photon Absorption of Metal-Assisted Chromophores

inferred← citeshttps://doi.org/10.1021/jacs.2c02277openalex-snapshot

Chemical and Biophysical Signatures of the Protein Corona in Nanomedicine

inferred← citeshttps://doi.org/10.1021/jacs.4c17452openalex-snapshot

Adding a Twist to Lateral Flow Immunoassays: A Direct Replacement of Antibodies with Helical Affibodies, from Selection to Application

inferred← citeshttps://doi.org/10.1021/jacs.9b08798openalex-snapshot

Tuning the Structure and Chiroptical Properties of Gold Nanoparticle Single Helices via Peptide Sequence Variation

inferred← citeshttps://doi.org/10.1021/jp404057hopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/jp404736hopenalex-snapshot

Reactivity of the ZnS(1010) Surface to Small Organic Ligands by Density Functional Theory

inferred← citeshttps://doi.org/10.1021/jp4061329openalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/jp412030topenalex-snapshot

Electronic Circular Dichroism of Surface-Adsorbed Molecules by Means of Quantum Mechanics Capacitance Molecular Mechanics

inferred← citeshttps://doi.org/10.1021/jp412098nopenalex-snapshot

A Force Field for Describing the Polyvinylpyrrolidone-Mediated Solution-Phase Synthesis of Shape-Selective Ag Nanoparticles

inferred← citeshttps://doi.org/10.1021/jp5020077openalex-snapshot

Fibronectin Module FNIII9 Adsorption at Contrasting Solid Model Surfaces Studied by Atomistic Molecular Dynamics

inferred← citeshttps://doi.org/10.1021/jp502494kopenalex-snapshot

Interaction with a Gold Surface Reshapes the Free Energy Landscape of Alanine Dipeptide

inferred← citeshttps://doi.org/10.1021/jp503319sopenalex-snapshot

Facet Selectivity of Ligands on Silver Nanoplates: Molecular Mechanics Study

inferred← citeshttps://doi.org/10.1021/la402839qopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1021/la503690topenalex-snapshot

Structure and Properties of Citrate Overlayers Adsorbed at the Aqueous Au(111) Interface

inferred← citeshttps://doi.org/10.1021/nn404427yopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1038/s41467-018-03137-8openalex-snapshot

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

inferred← citeshttps://doi.org/10.1038/s41467-018-04789-2openalex-snapshot

Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering

inferred← citeshttps://doi.org/10.1038/s41467-020-19233-7openalex-snapshot

Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets

inferred← citeshttps://doi.org/10.1038/s41524-020-00478-1openalex-snapshot

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

inferred← citeshttps://doi.org/10.1038/s41598-018-30915-7openalex-snapshot

Bare surface of gold nanoparticle induces inflammation through unfolding of plasma fibrinogen

inferred← citeshttps://doi.org/10.1038/s41598-020-59144-7openalex-snapshot

Peptide Capping Agent Design for Gold (111) Facet by Molecular Simulation and Experimental Approaches

inferred← citeshttps://doi.org/10.1038/s42004-025-01471-9openalex-snapshot

Opportunities and challenges in modelling ligand adsorption on semiconductor nanocrystals

inferred← citeshttps://doi.org/10.1039/c3cp51218eopenalex-snapshot

A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

inferred← citeshttps://doi.org/10.1039/c3cp51973bopenalex-snapshot

Molecular dynamics simulation of a DOPA/ST monolayer on the Au(111) surface

inferred← citeshttps://doi.org/10.1039/c4cp00992dopenalex-snapshot

Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theory

inferred← citeshttps://doi.org/10.1039/c4nr00468jopenalex-snapshot

Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

inferred← citeshttps://doi.org/10.1039/c5cp01136aopenalex-snapshot

NANOGOLD decorated by pHLIP peptide: comparative force field study

inferred← citeshttps://doi.org/10.1039/c5cs00890eopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1039/c5nr02311dopenalex-snapshot

Triggering nanoparticle surface ligand rearrangement via external stimuli: light-based actuation of biointerfaces

inferred← citeshttps://doi.org/10.1039/c5sc00399gopenalex-snapshot

Facet selectivity in gold binding peptides: exploiting interfacial water structure

inferred← citeshttps://doi.org/10.1039/c6ce01012aopenalex-snapshot

Multi-scale theory and simulation of shape-selective nanocrystal growth

inferred← citeshttps://doi.org/10.1039/c6cp02323aopenalex-snapshot

Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices

inferred← citeshttps://doi.org/10.1039/c6cp06135dopenalex-snapshot

Toward a modular multi-material nanoparticle synthesis and assembly strategy via bionanocombinatorics: bifunctional peptides for linking Au and Ag nanomaterials

inferred← citeshttps://doi.org/10.1039/c6en00579aopenalex-snapshot

NanoEHS beyond toxicity – focusing on biocorona

inferred← citeshttps://doi.org/10.1039/c6nr01539eopenalex-snapshot

The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide

inferred← citeshttps://doi.org/10.1039/c6nr06010bopenalex-snapshot

Fibrillation-prone conformations of the amyloid-β-42 peptide at the gold/water interface

inferred← citeshttps://doi.org/10.1039/c6nr07890gopenalex-snapshot

Elucidating the influence of materials-binding peptide sequence on Au surface interactions and colloidal stability of Au nanoparticles

inferred← citeshttps://doi.org/10.1039/c7cp06709gopenalex-snapshot

Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations

inferred← citeshttps://doi.org/10.1039/c7nh00138jopenalex-snapshot

Computational approaches to cell–nanomaterial interactions: keeping balance between therapeutic efficiency and cytotoxicity

inferred← citeshttps://doi.org/10.1039/c8cp05191gopenalex-snapshot

Interaction of gold nanosurfaces/nanoparticles with collagen-like peptides

inferred← citeshttps://doi.org/10.1039/c8cp06374eopenalex-snapshot

Critical role of tyrosine-20 in formation of gold nanoclusters within lysozyme: a molecular dynamics study

inferred← citeshttps://doi.org/10.1039/c8nr04506bopenalex-snapshot

Impact of nanoparticles on amyloid peptide and protein aggregation: a review with a focus on gold nanoparticles

inferred← citeshttps://doi.org/10.1039/c9na00096hopenalex-snapshot

Understanding the good and poor cell targeting activity of gold nanostructures functionalized with molecular units for the epidermal growth factor receptor

inferred← citeshttps://doi.org/10.1039/c9nr06839bopenalex-snapshot

Shape- and size-dependences of gold nanostructures on the electrooxidation of methanol under visible light irradiation

inferred← citeshttps://doi.org/10.1039/d0nr07320bopenalex-snapshot

Simulating selective binding of a biological template to a nanoscale architecture: a core concept of a clamp-based binding-pocket-favored N-terminal-domain assembly

inferred← citeshttps://doi.org/10.1039/d0ra00729copenalex-snapshot

Spiked gold nanotriangles: formation, characterization and applications in surface-enhanced Raman spectroscopy and plasmon-enhanced catalysis

inferred← citeshttps://doi.org/10.1039/d1cp00218jopenalex-snapshot

Amino-acid interactions with the Au(111) surface: adsorption, band alignment, and interfacial electronic coupling

inferred← citeshttps://doi.org/10.1039/d1cp02459kopenalex-snapshot

Nonlinear features of Fano resonance: a QM/EM study

inferred← citeshttps://doi.org/10.1039/d1cp04487gopenalex-snapshot

Structural order of water molecules around polyrotaxane including PEG, α-cyclodextrin, and α-lipoic acid linker on gold surface by molecular dynamics simulations

inferred← citeshttps://doi.org/10.1039/d1ra04298jopenalex-snapshot

A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients

inferred← citeshttps://doi.org/10.1039/d1sc06814hopenalex-snapshot

Predicting biomolecule adsorption on MoS 2 nanosheets with high structural fidelity

inferred← citeshttps://doi.org/10.1039/d2cp03461aopenalex-snapshot

A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation

inferred← citeshttps://doi.org/10.1039/d2cp03462jopenalex-snapshot

A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles and its applications

inferred← citeshttps://doi.org/10.1039/d2cp03916hopenalex-snapshot

The effect of electric field on the structural order of water molecules around chitosan between nano gold plates determined by molecular dynamics simulations

inferred← citeshttps://doi.org/10.1039/d3cp00197kopenalex-snapshot

Applicability of perturbed matrix method for charge transfer studies at bio/metallic interfaces: a case of azurin

inferred← citeshttps://doi.org/10.1039/d4sm00912fopenalex-snapshot

Protein monolayer formation: the combined role of the surface features and protein–protein interactions

inferred← citeshttps://doi.org/10.1039/d5mh00310eopenalex-snapshot

Engineering the nano-bio interface: challenges and opportunities for predicting the surface properties of monolayer-protected nanoparticles

inferred← citeshttps://doi.org/10.1039/d5nr03385copenalex-snapshot

Mechanism of polypeptide translocation through gold nanopores in view of sequencing applications

inferred← citeshttps://doi.org/10.1039/d6nr01150kopenalex-snapshot

Accuracy and computational feasibility of transport calculations in molecular and biomolecular junctions

inferred← citeshttps://doi.org/10.1063/1.4882657openalex-snapshot

An improved DNA force field for ssDNA interactions with gold nanoparticles

inferred← citeshttps://doi.org/10.1063/1.4976516openalex-snapshot

Understanding the interfacial behavior of lysozyme on Au (111) surfaces with multiscale simulations

inferred← citeshttps://doi.org/10.1063/1.5019596openalex-snapshot

Including diverging electrostatic potential in 3D-RISM theory: The charged wall case

inferred← citeshttps://doi.org/10.1063/1.5128848openalex-snapshot

The vibronic absorption spectra and exciton dynamics of plasmon-exciton hybrid systems in the regimes ranged from Fano antiresonance to Rabi-like splitting

inferred← citeshttps://doi.org/10.1063/5.0037551openalex-snapshot

Probing the structural properties of the water solvation shell around gold nanoparticles: A computational study

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