Use of metal/metal oxide spherical cluster and hydroxyl metal coordination complex for descriptor calculation in development of nanoparticle cytotoxicity classification model

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology

(2018) Chandrabose Selvaraj et al.   FOOD AND CHEMICAL TOXICOLOGY

Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action

(2016) Claire M. Ellison et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach

(2015) Alicja Mikolajczyk et al.   CHEMISTRY OF MATERIALS

Using nano-QSAR to determine the most responsible factor(s) in gold nanoparticle exocytosis

(2015) Arafeh Bigdeli et al.   RSC Advances

Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: A mechanistic QSTR approach

(2014) Supratik Kar et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides

(2014) Alla P. Toropova et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

A general mechanism for intracellular toxicity of metal-containing nanoparticles

(2014) Stefania Sabella et al.   Nanoscale

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: Hints from nano-QSAR studies

(2014) Agnieszka Gajewicz et al.   Nanotoxicology

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles

(2013) Alla P. Toropova et al.   CHEMOSPHERE

Development of structure–activity relationship for metal oxide nanoparticles

(2013) Rong Liu et al.   Nanoscale

Nano-SAR Development for Bioactivity of Nanoparticles with Considerations of Decision Boundaries

(2013) Rong Liu et al.   Small

Use of Metal Oxide Nanoparticle Band Gap To Develop a Predictive Paradigm for Oxidative Stress and Acute Pulmonary Inflammation

(2012) Haiyuan Zhang et al.   ACS Nano

Advancing risk assessment of engineered nanomaterials: Application of computational approaches

(2012) Agnieszka Gajewicz et al.   ADVANCED DRUG DELIVERY REVIEWS

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

(2012) James J. P. Stewart   JOURNAL OF MOLECULAR MODELING

Analysis of the occupational, consumer and environmental exposure to engineered nanomaterials used in 10 technology sectors

(2012) Bernd Nowack et al.   Nanotoxicology

Use of a High-Throughput Screening Approach Coupled with In Vivo Zebrafish Embryo Screening To Develop Hazard Ranking for Engineered Nanomaterials

(2011) Saji George et al.   ACS Nano

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

Classification NanoSAR Development for Cytotoxicity of Metal Oxide Nanoparticles

(2011) Rong Liu et al.   Small

A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles

(2010) Enrico Burello et al.   Nanotoxicology

Hydrated metal ions in aqueous solution: How regular are their structures?

(2010) Ingmar Persson   PURE AND APPLIED CHEMISTRY