Liliana M. Pacureanu

发表

QSPR study of the first and second critical micelle concentrations of cationic surfactants

Svetoslav H. Slavov, Alan R. Katritzky, Mati Karelson, 2009, Comput. Chem. Eng..

QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors

Alan R. Katritzky, Mati Karelson, Liliana M. Pacureanu, 2007, J. Chem. Inf. Model..

ColBioS-FlavRC: A Collection of Bioselective Flavonoids and Related Compounds Filtered from High-Throughput Screening Outcomes

Alina Bora, Sorin I. Avram, Stefana Avram, 2014, J. Chem. Inf. Model..

PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

Alina Bora, Sorin I. Avram, Liliana M. Pacureanu, 2011, J. Chem. Inf. Model..

QSPR Study of Critical Micelle Concentrations of Nonionic Surfactants

Svetoslav H. Slavov, Liliana M. Pacureanu, M. Karelson, 2008 .

Partial Least Squares Discriminant Analysis and 3D Similarity Perspective Applied to Analyze Comprehensively the Selectivity of Glycogen Synthase Kinase 3 Inhibitors

Liliana M. Pacureanu, Luminita Crisan, S. Avram, 2020, Molecular informatics.

Diarylthiazole and diarylimidazole selective COX-1 inhibitor analysis through pharmacophore modeling, virtual screening, and DFT-based approaches

Liliana M. Pacureanu, Alina Bora, A. Borota, 2019, Structural Chemistry.

Retrospective group fusion similarity search based on eROCE evaluation metric.

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2013, Bioorganic & medicinal chemistry.

Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2018, Structural Chemistry.

Challenges in docking 2′-hydroxy and 2′,4′-dihydroxychalcones into the binding site of ALR2

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2012, Medicinal Chemistry Research.

Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors

Liliana M. Pacureanu, Luminita Crisan, S. Avram, 2017, Molecular Diversity.

Implementation of PLS discriminant analysis to rank indirubin derivatives against decoys

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2013 .

QSAR study and molecular docking on indirubin inhibitors of Glycogen Synthase Kinase-3

Liliana M. Pacureanu, Alina Bora, Z. Simon, 2012 .

QSAR modeling of the inhibition of glycogen synthase kinase-3.

Liliana M. Pacureanu, M. Karelson, A. Katritzky, 2006, Bioorganic & medicinal chemistry.

PLS and shape-based similarity analysis of maleimides – GSK-3 inhibitors

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2014, Journal of enzyme inhibition and medicinal chemistry.

QSAR study of antiplatelet agents.

Liliana M. Pacureanu, M. Karelson, A. Katritzky, 2006, Bioorganic & medicinal chemistry.

XIII. Phosphorus Macrocycles–Theoretical Study

Liliana M. Pacureanu, Z. Simon, M. Mracec, 2004 .

Aromatic λ3 heterocycles XIV. Fosfinine-ether macrocyclesheterocycles XIV. Fosfinine-ether macrocycles

Liliana M. Pacureanu, M. Mracec, 2005 .

Docking Experiment for (3S,5S,6S)-6-Acetylamidopenicillanic Acid

Liliana M. Pacureanu, Luminita Crisan, D. Ivan, 2011 .

Wittig and Wittig-Horner reactions under phase transfer catalysis conditions

Liliana M. Pacureanu, Alina Bora, S. Iliescu, 2003 .

Aromatic heterocycles XII. Semiempirical PM3 study of Diels-Alder cycloaddition reaction of substituted phosphabenzenes

Liliana M. Pacureanu, Z. Simon, M. Mracec, 2004 .

In Silico Study of Some Natural Flavonoids as Potential Agents against COVID-19: Preliminary Results

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2020, Chemistry Proceedings.

Synthesis of Mixed Dialkylphosphates by PTC

Liliana M. Pacureanu, S. Iliescu, G. Ilia, 2002 .

Comprehensive investigation of selectivity landscape of glycogen synthase kinase-3 inhibitors

Liliana M. Pacureanu, Luminita Crisan, Liliana Pacureanu, 2020, Journal of biomolecular structure & dynamics.

In silico classification and virtual screening of maleimide derivatives using projection to latent structures discriminant analysis (PLS-DA) and hybrid docking

Alina Bora, Liliana M. Pacureanu, Sorin Avram, 2012, Monatshefte für Chemie - Chemical Monthly.

COX Inhibition Profile and Molecular Docking Studies of Some 2-(Trimethoxyphenyl)-Thiazoles

Liliana M. Pacureanu, A. Crăciun, Cătălin Araniciu, 2017, Molecules.

Reduction of Cr(VI) Using Polyaniline–Polystirene-Divinyl Benzene Gels

Liliana M. Pacureanu, Ramona F. Rad, S. Iliescu, 2004 .

DFT plus PCM calculation for pairing specificity of Watson–Crick‐type bases in aqueous solutions

Liliana M. Pacureanu, Z. Simon, 2009 .

QSPR modeling of hyperpolarizabilities

Mati Karelson, Dimitar Dobchev, Liliana M. Pacureanu, 2007, Journal of molecular modeling.

Synthesis, characterisation and antibacterial activity of quaternary phosphonium salts bonded on poly(oxyethylene)s

Liliana M. Pacureanu, S. Iliescu, G. Ilia, 2003 .

New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods

Liliana M. Pacureanu, Alina Bora, Luminita Crisan, 2023, International journal of molecular sciences.

Virtual screening and drug repurposing experiments to identify potential novel selective MAO-B inhibitors for Parkinson’s disease treatment

Alina Bora, Liliana M. Pacureanu, Luminita Crisan, 2020, Molecular Diversity.