An In Silico study of TiO2 nanoparticles interaction with twenty standard amino acids in aqueous solution

Simplified TiO2 force fields for studies of its interaction with biomolecules

(2015) Binquan Luan et al.   JOURNAL OF CHEMICAL PHYSICS

Comparative exploration of hydrogen sulfide and water transmembrane free energy surfaces via orthogonal space tempering free energy sampling

(2015) Chao Lv et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Metallic oxide nanoparticle translocation across the human bronchial epithelial barrier

(2015) Isabelle George et al.   Nanoscale

Binding Affinities of Amino Acid Analogues at the Charged Aqueous Titania Interface: Implications for Titania-Binding Peptides

(2014) Anas M. Sultan et al.   LANGMUIR

Effects of Serum Adsorption on Cellular Uptake Profile and Consequent Impact of Titanium Dioxide Nanoparticles on Human Lung Cell Lines

(2012) Roslyn Tedja et al.   ACS Nano

Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations

(2012) Zaixing Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Journey toward the Surface: How Glycine Adsorbs on Titania in Water Solution

(2012) Cui Li et al.   Journal of Physical Chemistry C

Molecular behavior of water in TiO2 nano-slits with varying coverages of carbon: a molecular dynamics simulation study

(2012) Ming-Jie Wei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular mechanism of pancreatic tumor metastasis inhibition by Gd@C82(OH)22 and its implication for de novo design of nanomedicine

(2012) S.-g. Kang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Binding of blood proteins to carbon nanotubes reduces cytotoxicity

(2011) C. Ge et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Aggregation of  -crystallins associated with human cataracts via domain swapping at the C-terminal  -strands

(2011) P. Das et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Polymorph- and Size-Dependent Uptake and Toxicity of TiO2 Nanoparticles in Living Lung Epithelial Cells

(2011) Per Ola Andersson et al.   Small

Titanium dioxide nanoparticles induced cytotoxicity, oxidative stress and DNA damage in human amnion epithelial (WISH) cells

(2011) Quaiser Saquib et al.   TOXICOLOGY IN VITRO

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins

(2010) Payel Das et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Free Energy Calculations of the Adsorption of Amino Acid Analogues at the Aqueous Titania Interface

(2010) S. Monti et al.   Journal of Physical Chemistry C

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

Adsorption of Ionic Peptides on Inorganic Supports

(2009) Susanna Monti et al.   Journal of Physical Chemistry C

Directed Assembly of PEGylated-Peptide Coatings for Infection-Resistant Titanium Metal

(2009) Xiaojuan Khoo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Probing the Interaction between Peptides and Metal Oxides Using Point Mutants of a TiO2-Binding Peptide

(2008) Haibin Chen et al.   LANGMUIR

Pulmonary response to intratracheal instillation of ultrafine versus fine titanium dioxide: role of particle surface area

(2008) Tina M Sager et al.   Particle and Fibre Toxicology

Potential neurological lesion after nasal instillation of TiO2 nanoparticles in the anatase and rutile crystal phases

(2008) J WANG et al.   TOXICOLOGY LETTERS

Amino acid adsorption on hydrophilic TiO2: A sum frequency generation vibrational spectroscopy study

(2008) Z. Pászti et al.   VIBRATIONAL SPECTROSCOPY