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Effects of Size and Functionalization on the Structure and Properties of Graphene Oxide Nanoflakes: An in Silico Investigation
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
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The 66 checked references that resolve
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Graphene‐based biosensors: methods, analysis and future perspectives
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Adsorption of GA module onto graphene and graphene oxide: A molecular dynamics simulation study
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Destructive extraction of phospholipids from Escherichia coli membranes by graphene nanosheets
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Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene
resolves10.1016/j.carbon.2013.05.060
Effects of surface curvature and surface characteristics of carbon-based nanomaterials on the adsorption and activity of acetylcholinesterase
resolves10.1007/s00249-010-0651-6
Nanomaterials in biological environment: a review of computer modelling studies
resolves10.1002/smll.201503585
Understanding and Designing the Gold–Bio Interface: Insights from Simulations
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Mechanical properties of graphene oxide: A molecular dynamics study
resolves10.1016/j.carbon.2013.10.078
Molecular dynamics simulation of mechanical performance of graphene/graphene oxide paper based polymer composites
resolves10.1021/acs.jpcc.5b07345
Molecular Dynamics Study of the Aggregation Process of Graphene Oxide in Water
resolves10.1088/0022-3727/47/50/505401
Molecular dynamics simulations of the adsorption of DNA segments onto graphene oxide
resolves10.1021/la4033805
Hydration Patterns of Graphene-Based Nanomaterials (GBNMs) Play a Major Role in the Stability of a Helical Protein: A Molecular Dynamics Simulation Study
resolves10.1021/am500167c
Mechanism of Graphene Oxide as an Enzyme Inhibitor from Molecular Dynamics Simulations
resolves10.1021/acs.jpcc.5b10635
Interaction of Graphene and its Oxide with Lipid Membrane: A Molecular Dynamics Simulation Study
resolves10.1021/acs.jpcc.6b02787
Experimental and Molecular Dynamics Simulation Study of Specific Ion Effect on the Graphene Oxide Surface and Investigation of the Influence on Reactive Extraction of Model Dye Molecule at Water–Organic Interface
resolves10.1021/la203607w
Understanding the pH-Dependent Behavior of Graphene Oxide Aqueous Solutions: A Comparative Experimental and Molecular Dynamics Simulation Study
resolves10.1371/journal.pone.0065579
Exploring the Influence of Carbon Nanoparticles on the Formation of β-Sheet-Rich Oligomers of IAPP22–28 Peptide by Molecular Dynamics Simulation
resolves10.1021/jp077678m
Role of Counterion Condensation in the Self-Assembly of SDS Surfactants at the Water−Graphite Interface
resolves10.1021/acs.jpcc.7b00464
Molecular-Level Insights into the Stability of Aqueous Graphene Oxide Dispersions
resolves10.1007/s11051-016-3631-7
Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities
resolves10.1021/ja00085a036
Derivation of Class II Force Fields. 2. Derivation and Characterization of a Class II Force Field, CFF93, for the Alkyl Functional Group and Alkane Molecules
resolves10.1039/c6fd00050a
Surface heterogeneity: a friend or foe of protein adsorption – insights from theoretical simulations
resolves10.1039/c5tb00004a
What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces
resolves10.3389/fmolb.2015.00064
Surface-water Interface Induces Conformational Changes Critical for Protein Adsorption: Implications for Monolayer Formation of EAS Hydrophobin
resolves10.1021/ja411796e
Molecular-Level Understanding of Protein Adsorption at the Interface between Water and a Strongly Interacting Uncharged Solid Surface
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Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations
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Facet selectivity in gold binding peptides: exploiting interfacial water structure
resolves10.1039/c5sm00123d
Molecular-level understanding of the adsorption mechanism of a graphite-binding peptide at the water/graphite interface
resolves10.1103/physrevlett.103.037803
Quantifying Water Density Fluctuations and Compressibility of Hydration Shells of Hydrophobic Solutes and Proteins
resolves10.1073/pnas.0902778106
Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations
resolves10.1016/j.carbon.2017.10.018
Structural stability, magneto-electronics and spin transport properties of triangular graphene nanoflake chains with edge oxidation
resolves10.1039/c7cp00029d
Electronic structure and magnetic properties of penta-graphene nanoribbons
resolves10.1021/jp980939v
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
resolves10.1016/j.carbon.2007.02.034
Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide
resolves10.1021/ci300363c
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
resolves10.1021/ci3003649
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
resolves10.1016/j.commatsci.2015.12.030
Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide
resolves10.1021/acs.chemrev.7b00139
Biointerface Structural Effects on the Properties and Applications of Bioinspired Peptide-Based Nanomaterials
resolves10.1021/acs.accounts.7b00065
Pathways to Structure–Property Relationships of Peptide–Materials Interfaces: Challenges in Predicting Molecular Structures
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Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities
resolves10.1017/s0033583515000256
Modeling and simulation of protein–surface interactions: achievements and challenges
resolves10.1371/journal.pone.0186219
Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin
resolves10.1021/jz300236w
Understanding Aqueous Dispersibility of Graphene Oxide and Reduced Graphene Oxide through p<i>K</i><sub>a</sub> Measurements
resolves10.1016/0010-4655(95)00042-e
GROMACS: A message-passing parallel molecular dynamics implementation
resolves10.1021/ct700301q
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
resolves10.1021/jp505332p
Automatic GROMACS Topology Generation and Comparisons of Force Fields for Solvation Free Energy Calculations
resolves10.1063/1.464397
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
The 1 reference without a DOI — listed, not checked
no DOI — not checkedMaterials Studio 6.1; Accelrys Software
Inc: San Diego, CA, USA, 2012.
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