A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints

Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology

(2018) Tomasz Puzyn et al.   FOOD AND CHEMICAL TOXICOLOGY

In vivo formation of protein corona on gold nanoparticles. The effect of their size and shape

(2018) Rafaela García-Álvarez et al.   Nanoscale

MouseTox: An online toxicity assessment tool for small molecules through Enalos Cloud platform

(2017) Dimitra-Danai Varsou et al.   FOOD AND CHEMICAL TOXICOLOGY

Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme

(2017) Agnieszka Gajewicz et al.   Nanotoxicology

The way to cover prediction for cytotoxicity for all existing nano-sized metal oxides by using neural network method

(2017) Natalja Fjodorova et al.   Nanotoxicology

Reproducibility, sharing and progress in nanomaterial databases

(2017) Alexander Tropsha et al.   Nature Nanotechnology

Evolution of the nanoparticle corona

(2017) Marilena Hadjidemetriou et al.   Nature Nanotechnology

Universal fragment descriptors for predicting properties of inorganic crystals

(2017) Olexandr Isayev et al.   Nature Communications

Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

(2017) Georgia Melagraki et al.   PLoS Computational Biology

Understanding the Kinetics of Protein–Nanoparticle Corona Formation

(2016) Oriol Vilanova et al.   ACS Nano

Exploring Cellular Interactions of Liposomes Using Protein Corona Fingerprints and Physicochemical Properties

(2016) Arafeh Bigdeli et al.   ACS Nano

Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR

(2016) Supratik Kar et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Parametrization of nanoparticles: development of full-particle nanodescriptors

(2016) K. Tämm et al.   Nanoscale

Predicting toxic potencies of metal oxide nanoparticles by means of nano-QSARs

(2016) Yunsong Mu et al.   Nanotoxicology

Recent advances, and unresolved issues, in the application of computational modelling to the prediction of the biological effects of nanomaterials

(2016) David A. Winkler   TOXICOLOGY AND APPLIED PHARMACOLOGY

Protein Corona of Nanoparticles: Distinct Proteins Regulate the Cellular Uptake

(2015) Sandra Ritz et al.   BIOMACROMOLECULES

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

A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform

(2015) Georgia Melagraki et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

It takes two to tango: Understanding the interactions between engineered nanomaterials and the immune system

(2015) Consol Farrera et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Protein corona hampers targeting potential of MUC1 aptamer functionalized SN-38 core–shell nanoparticles

(2015) Behrang Shiri Varnamkhasti et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

(2015) Eleni Vrontaki et al.   METHODS

Quantitative Regression Models for the Prediction of Chemical Properties by an Efficient Workflow

(2015) Yongmin Yin et al.   Molecular Informatics

Screening Chemicals for Receptor-Mediated Toxicological and Pharmacological Endpoints: Using Public Data to Build Screening Tools within a KNIME Workflow

(2015) F. P. Steinmetz et al.   Molecular Informatics

Computational modeling in nanomedicine: prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure–activity relationship perturbation model

(2015) Alejandro Speck-Planche et al.   Nanomedicine

Prediction of nanoparticles-cell association based on corona proteins and physicochemical properties

(2015) Rong Liu et al.   Nanoscale

Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles

(2015) Denis Fourches et al.   Nanotoxicology

How decision analysis can further nanoinformatics

(2015) Matthew E Bates et al.   Beilstein Journal of Nanotechnology

Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME

(2015) George Nicola et al.   Database-The Journal of Biological Databases and Curation

Merging Worlds of Nanomaterials and Biological Environment: Factors Governing Protein Corona Formation on Nanoparticles and Its Biological Consequences

(2015) Parisa Foroozandeh et al.   Nanoscale Research Letters

Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles

(2014) Carl D. Walkey et al.   ACS Nano

Nanoparticle size matters in the formation of plasma protein coronas on Fe3O4 nanoparticles

(2014) Zhengyan Hu et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanoparticles under Multiple Experimental Conditions

(2014) Valeria V. Kleandrova et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Protein corona composition does not accurately predict hematocompatibility of colloidal gold nanoparticles

(2014) Marina A. Dobrovolskaia et al.   Nanomedicine-Nanotechnology Biology and Medicine

Nano(Q)SAR: Challenges, pitfalls and perspectives

(2014) Ratna Tantra et al.   Nanotoxicology

Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles

(2014) Georgia Melagraki et al.   RSC Advances

Protein Corona Composition of Superparamagnetic Iron Oxide Nanoparticles with Various Physico-Chemical Properties and Coatings

(2014) Usawadee Sakulkhu et al.   Scientific Reports

Impact of Protein Modification on the Protein Corona on Nanoparticles and Nanoparticle–Cell Interactions

(2013) Lennart Treuel et al.   ACS Nano

Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium

(2013) Georgia Melagraki et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Adsorption of plasma proteins on uncoated PLGA nanoparticles

(2013) Karim Sempf et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Exploring the development of a decision support system (DSS) to prioritize engineered nanoparticles for risk assessment

(2013) Hans J. P. Marvin et al.   JOURNAL OF NANOPARTICLE RESEARCH

Nanoparticle Adhesion to the Cell Membrane and Its Effect on Nanoparticle Uptake Efficiency

(2013) Anna Lesniak et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Silver Nanoparticle Protein Corona Composition in Cell Culture Media

(2013) Jonathan H. Shannahan et al.   PLoS One

Protein corona formation around nanoparticles – from the past to the future

(2013) Pablo del Pino et al.   Materials Horizons

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

Biomolecular coronas provide the biological identity of nanosized materials

(2012) Marco P. Monopoli et al.   Nature Nanotechnology

Self-Organizing Map Analysis of Toxicity-Related Cell Signaling Pathways for Metal and Metal Oxide Nanoparticles

(2011) Robert Rallo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Classification NanoSAR Development for Cytotoxicity of Metal Oxide Nanoparticles

(2011) Rong Liu et al.   Small

The Applications of Machine Learning Algorithms in the Modeling of Estrogen-Like Chemicals

(2009) Huanxiang Liu et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING