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List of works by Irene Kouskoumvekaki

A Comment on Guggenheim-like Hard-Core Volume Expressions

A novel approach to liquid–liquid equilibrium in polymer systems with application to simplified PC-SAFT

An improved entropic expression for polymer solutions

Analysis of free text in electronic health records for identification of cancer patient trajectories

scientific article

Application of the perturbed chain SAFT equation of state to complex polymer systems using simplified mixing rules

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.

scientific article published on March 2011

Back to the Roots: Prediction of Biologically Active Natural Products from Ayurveda Traditional Medicine

scientific article

Capabilities, limitations and challenges of a simplified PC-SAFT equation of state

ChemProt-2.0: visual navigation in a disease chemical biology database

scientific article

ChemProt: a disease chemical biology database

scientific article

Chemoinformatics-assisted development of new anti-biofilm compounds

scientific article published on 5 March 2010

Computational Analysis of LOX1 Inhibition Identifies Descriptors Responsible for Binding Selectivity.

scientific article published on 26 February 2018

Correction: Integrated Text Mining and Chemoinformatics Analysis Associates Diet to Health Benefit at Molecular Level

scientific article published on 23 January 2014

Developing a molecular roadmap of drug-food interactions

scientific article

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow.

scientific article

Exploring mechanisms of diet-colon cancer associations through candidate molecular interaction networks

scientific article

Facilitating the use of large-scale biological data and tools in the era of translational bioinformatics

scientific article

Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification

scientific article

Integrated text mining and chemoinformatics analysis associates diet to health benefit at molecular level

scientific article (publication date: 2014)

LOX1 inhibition with small molecules.

scientific article published on 11 December 2015

Mapping the genome of Plasmodium falciparum on the drug-like chemical space reveals novel anti-malarial targets and potential drug leads

scientific article (publication date: June 2012)

Meta-analysis of heterogeneous data sources for genome-scale identification of risk genes in complex phenotypes

scientific article

Navigating the human metabolome for biomarker identification and design of pharmaceutical molecules.

scientific article

NutriChem 2.0: exploring the effect of plant-based foods on human health and drug efficacy

scientific article published in January 2017

NutriChem: a systems chemical biology resource to explore the medicinal value of plant-based foods

scientific article published on 8 August 2014

Pharmacophore-driven identification of PPARγ agonists from natural sources.

scientific article

Prediction of pH-dependent aqueous solubility of druglike molecules

scientific article published in November 2006

Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPARγ partial agonists

scientific article

The chemical interactome space between the human host and the genetically defined gut metabotypes

scientific article published on 22 November 2012

The elusive endogenous adipogenic PPARγ agonists: Lining up the suspects

scientific article published on 15 December 2015

The interplay of descriptor-based computational analysis with pharmacophore modeling builds the basis for a novel classification scheme for feruloyl esterases

scientific article

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