An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water

Gelation of graphene oxides induced by different types of amino acids

(2014) Heeyoung Ahn et al.   CARBON

Carbon-Based Nanomaterials: Multifunctional Materials for Biomedical Engineering

(2013) Chaenyung Cha et al.   ACS Nano

Health and Ecosystem Risks of Graphene

(2013) Xiangang Hu et al.   CHEMICAL REVIEWS

Graphene: Promises, Facts, Opportunities, and Challenges in Nanomedicine

(2013) Hong Ying Mao et al.   CHEMICAL REVIEWS

Metal-decorated graphene oxide for ammonia adsorption

(2013) Yunguo Li et al.   EPL

Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect

(2013) N. Dragneva et al.   JOURNAL OF CHEMICAL PHYSICS

pH Effects on Molecular Adsorption and Solvation of p-Nitrophenol at Silica/Aqueous Interfaces

(2013) B. Lauren Woods et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Competitive Binding of Natural Amphiphiles with Graphene Derivatives

(2013) Slaven Radic et al.   Scientific Reports

News and views – editor’s choice

(2013)   Nanotechnology Reviews

Graphene Oxide as a Quencher for Fluorescent Assay of Amino Acids, Peptides, and Proteins

(2012) Shanghao Li et al.   ACS Applied Materials & Interfaces

Effects of Surface Heterogeneity on the Adsorption of CO2 in Microporous Carbons

(2012) Yangyang Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

A numerically stable restrained electrostatic potential charge fitting method

(2012) Juan Zeng et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering

(2012) Philip E. Mason et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Domain formation on oxidized graphene

(2012) M. Topsakal et al.   PHYSICAL REVIEW B

Stability of peptide (P1 and P2) binding to a graphene sheet via an all-atom to all-residue coarse-grained approach

(2012) R. B. Pandey et al.   Soft Matter

Structure–process–property relationship of the polar graphene oxide-mediated cellular response and stimulated growth of osteoblasts on hybrid chitosan network structure nanocomposite scaffolds

(2011) D. Depan et al.   Acta Biomaterialia

CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

(2011) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Inductive Effect: A Quantum Theory of Atoms in Molecules Perspective

(2011) Ashlyn P. Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Interaction of peptides with graphene oxide and its application for real-time monitoring of protease activity

(2010) Min Zhang et al.   CHEMICAL COMMUNICATIONS

Electronic Polarizability and the Effective Pair Potentials of Water

(2010) I. V. Leontyev et al.   Journal of Chemical Theory and Computation

Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems

(2010) De-Li Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-Principle Study of Hydroxyl Functional Groups on Pristine, Defected Graphene, and Graphene Epoxide

(2010) Nahid Ghaderi et al.   Journal of Physical Chemistry C

Graphene Oxide as a Matrix for Enzyme Immobilization

(2010) Jiali Zhang et al.   LANGMUIR

Biocompatibility of Graphene Oxide

(2010) Kan Wang et al.   Nanoscale Research Letters

Structural evolution during the reduction of chemically derived graphene oxide

(2010) Akbar Bagri et al.   Nature Chemistry

Oxidation functional groups on graphene: Structural and electronic properties

(2010) Jia-An Yan et al.   PHYSICAL REVIEW B

Ab initio study of the binding of collagen amino acids to graphene and A-doped (A=H, Ca) graphene

(2010) Claudio Cazorla   THIN SOLID FILMS

Density functional theory calculations and molecular dynamics simulations of the adsorption of biomolecules on graphene surfaces

(2009) Wu Qin et al.   BIOMATERIALS

The chemistry of graphene oxide

(2009) Daniel R. Dreyer et al.   CHEMICAL SOCIETY REVIEWS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

(2009) Chinagandham Rajesh et al.   JOURNAL OF CHEMICAL PHYSICS

Self-Assembled Graphene/Carbon Nanotube Hybrid Films for Supercapacitors

(2009) Dingshan Yu et al.   Journal of Physical Chemistry Letters

Atomic and Electronic Structure of Graphene-Oxide

(2009) K. Andre Mkhoyan et al.   NANO LETTERS

Engineering graphene by oxidation: a first-principles study

(2009) Zhiping Xu et al.   NANOTECHNOLOGY

Surface Chemistry Influences Implant Biocompatibility

(2008) Liping Tang et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Interaction between Glycine/Glycine Radicals and Intrinsic/Boron-Doped (8,0) Single-Walled Carbon Nanotubes: A Density Functional Theory Study

(2008) Wenming Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nano-graphene oxide for cellular imaging and drug delivery

(2008) Xiaoming Sun et al.   Nano Research

High-throughput solution processing of large-scale graphene

(2008) Vincent C. Tung et al.   Nature Nanotechnology