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ANAMMOX-denitrification biomass in microbial fuel cell to enhance the electricity generation and nitrogen removal efficiency

Biodegradation (Dordrecht), 2020-12, Vol.31 (4-6), p.249-264

2020

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Comparative DFT study of americium and europium complexation with 2,9-bis(1,2-diazin-3-yl)-1,10-phenanthroline ligand in gas phase

Computational and theoretical chemistry, 2022-08, Vol.1214, p.113786, Article 113786

2022

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Predicting electrophoretic mobility of TiO2, ZnO, and CeO2 nanoparticles in natural waters: The importance of environment descriptors in nanoinformatics models

The Science of the total environment, 2022-09, Vol.840, p.156572-156572, Article 156572

2022

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Identification of several high-risk HPV inhibitors and drug targets with a novel high-throughput screening assay

PLoS pathogens, 2017-02, Vol.13 (2), p.e1006168-e1006168

2017

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DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series

Computational and theoretical chemistry, 2020-04, Vol.1175, p.112729, Article 112729

2020

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Machine learning and materials modelling interpretation of in vivo toxicological response to TiO2 nanoparticles library (UV and non-UV exposure)

Nanoscale, 2021-09, Vol.13 (35), p.14666-14678

2021

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Quantitative Measures of Solvent Polarity

Chemical reviews, 2004-01, Vol.104 (1), p.175-198

2004

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NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst

ChemCatChem, 2016-05, Vol.8 (10), p.1804-1808

2016

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Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies

Organic & biomolecular chemistry, 2015-09, Vol.13 (36), p.9492-9503

2015

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Comparison of prominent methods for computational studies of lanthanoid cation complexation

Proceedings of the Estonian Academy of Sciences, 2018-01, Vol.67 (1), p.106-113

2018

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A novel role of KEAP1/PGAM5 complex: ROS sensor for inducing mitophagy

Redox biology, 2021-12, Vol.48, p.102186-102186, Article 102186

2021

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Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction

Molecular informatics, 2013-10, Vol.32 (9-10), p.793-801

2013

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Prediction of Cell-Penetrating Peptides Using Artificial Neural Networks

Current computer-aided drug design, 2010-06, Vol.6 (2), p.79

2010

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Skin Permeation Rate as a Function of Chemical Structure

Journal of medicinal chemistry, 2006-06, Vol.49 (11), p.3305-3314

2006

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Theoretical modeling of HPV: QSAR and novodesign with fragment approach

Current computer-aided drug design, 2014-01, Vol.10 (4), p.303

2014

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Fragment-based development of HCV protease inhibitors for the treatment of hepatitis C

Current computer-aided drug design, 2012-03, Vol.8 (1), p.55

2012

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Application of the QSPR Approach to the Boiling Points of Azeotropes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-04, Vol.115 (15), p.3475-3479

2011

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Predicting Cytotoxicity of Metal Oxide Nanoparticles using Isalos Analytics Platform

Nanomaterials (Basel, Switzerland), 2020-10, Vol.10 (10), p.2017

2020

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In Silico Design of Optimal Dissolution Kinetics of Fe‐Doped ZnO Nanoparticles Results in Cancer‐Specific Toxicity in a Preclinical Rodent Model

Advanced healthcare materials, 2017-05, Vol.6 (9), p.n/a

2017

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QSAR study of pharmacological permeabilities

ARKIVOC free online journal of organic chemistry, 2009-02, Vol.2009 (2), p.218-238

2009

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ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO2 spherical nanoparticles and calculation of their atomistic descriptors

Computational and structural biotechnology journal, 2024-12, Vol.25, p.34-46

2024

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Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls

Toxicological and environmental chemistry, 2010-08, Vol.92 (7), p.1233-1247

2010

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Estimating the toxicities of organic chemicals in activated sludge process

Water research (Oxford), 2010-04, Vol.44 (8), p.2451-2460

2010

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ANAMMOX-denitrification biomass in microbial fuel cell to enhance the electricity generation and nitrogen removal efficiency

Comparative DFT study of americium and europium complexation with 2,9-bis(1,2-diazin-3-yl)-1,10-phenanthroline ligand in gas phase

Predicting electrophoretic mobility of TiO2, ZnO, and CeO2 nanoparticles in natural waters: The importance of environment descriptors in nanoinformatics models

Identification of several high-risk HPV inhibitors and drug targets with a novel high-throughput screening assay

DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series

Machine learning and materials modelling interpretation of in vivo toxicological response to TiO2 nanoparticles library (UV and non-UV exposure)

Quantitative Measures of Solvent Polarity

A computational view on nanomaterial intrinsic and extrinsic features for nanosafety and sustainability

NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst

Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies

Comparison of prominent methods for computational studies of lanthanoid cation complexation

A novel role of KEAP1/PGAM5 complex: ROS sensor for inducing mitophagy

Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction

Prediction of Cell-Penetrating Peptides Using Artificial Neural Networks

Skin Permeation Rate as a Function of Chemical Structure

Theoretical modeling of HPV: QSAR and novodesign with fragment approach

Fragment-based development of HCV protease inhibitors for the treatment of hepatitis C

Application of the QSPR Approach to the Boiling Points of Azeotropes

Predicting Cytotoxicity of Metal Oxide Nanoparticles using Isalos Analytics Platform

In Silico Design of Optimal Dissolution Kinetics of Fe‐Doped ZnO Nanoparticles Results in Cancer‐Specific Toxicity in a Preclinical Rodent Model

QSAR study of pharmacological permeabilities

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO2 spherical nanoparticles and calculation of their atomistic descriptors

Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls

Estimating the toxicities of organic chemicals in activated sludge process

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