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Concept

Chémoinformatique

Publications associées (27)

Prediction of transformation products during ozonation of micropollutant-containing waters : kinetics and mechanisms

Minju Lee

Ozonation, which is widely used for drinking water disinfection, has recently been applied to mitigate potentially harmful effects of micropollutants (e.g., pharmaceuticals, personal care products, pesticides, etc.) present in municipal wastewater effluent ...

EPFL2016

Combinatorial Screening for Specific Drug Solubilizers with Switchable Release Profiles

Polymer-block-peptide conjugates are tailored to render hydrophobic small molecule drugs water soluble. The combinatorial strategy selects for bioconjugates that exhibit sequence-specific solubilization and switchable release profiles of the cargo through ...

Wiley-V C H Verlag Gmbh2015

Generation of photoswitchable peptide ligands by phage display

Silvia Bellotto

Photoswitchable ligands are used to control and study complex biological systems such as folding of proteins and peptides, enzymatic reactions or neuronal signaling. They are typically developed by conjugating photochromic compounds to known ligands so tha ...

EPFL2015

A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents

Luc Patiny

A virtual or in silico screening approach makes it much easier to identify the molecular structure that best combines efficacy for a specific task with safety and minimum environmental or health impacts. In this approach, software is used to generate a lar ...

Royal Soc Chemistry2015

Predictive Models for Thermal Behavior of Chemicals with Quantitative Structure-Property Relationships

Thierry Meyer, Francis Stoessel, Nadia Baati, Annik Nanchen

Most processes in the chemical industry involve potentially hazardous steps. It is thus of critical importance to perform risk assessments and to know the thermal behavior of the chemicals at stake. A widely used thermal analysis, differential scanning cal ...

Wiley-Blackwell2015

Phage Selection of Bicyclic Peptides and High-Throughput Screening of Chemical Compounds for the Identification of Novel Inhibitors of the Notch Pathway

Charlotte Marie Urech-Varenne

Notch signaling is a highly conserved developmental pathway that plays important roles in the regulation of cellular processes including cell fate decisions and stem cell maintenance. A tight regulation of the Notch cascade ensures proper tissue homeostasi ...

EPFL2015

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

Luc Patiny, Michaël Giuseppe Zasso

Background: Wikipedia, the world's largest and most popular encyclopedia is an indispensable source of chemistry information. It contains among others also entries for over 15,000 chemicals including metabolites, drugs, agrochemicals and industrial chemica ...

Biomed Central Ltd2015