Danuta Leszczynska

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2025 J jnl
Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences.
Biosyst.
Andrey A. Toropov, Alla P. Toropova, Valentin O. Kudyshkin, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2021 J jnl
Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells.
Comput. Biol. Medicine
Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
2019 J jnl
"Ideal correlations" for biological activity of peptides.
Biosyst.
Andrey A. Toropov, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski
2018 J jnl
Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES.
Biosyst.
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2017 J jnl
Power Conversion Efficiency of Arylamine Organic Dyes for Dye-Sensitized Solar Cells (DSSCs) Explicit to Cobalt Electrolyte: Understanding the Structural Attributes Using a Direct QSPR Approach.
Comput.
Supratik Kar, Juganta K. Roy, Danuta Leszczynska, Jerzy Leszczynski
2016 J jnl
Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach.
J. Comput. Chem.
Liudmyla K. Sviatenko, Leonid Gorb, Frances C. Hill, Danuta Leszczynska, Jerzy Leszczynski
2015 J jnl
Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study.
J. Comput. Chem.
Liudmyla K. Sviatenko, Olexandr Isayev, Leonid Gorb, Frances C. Hill, Danuta Leszczynska, Jerzy Leszczynski
2014 J jnl
Comprehension of drug toxicity: Software and databases.
Comput. Biol. Medicine
Andrey A. Toropov, Alla P. Toropova, Ivan Raska Jr., Danuta Leszczynska, Jerzy Leszczynski
2012 J jnl
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical.
J. Comput. Chem.
Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2011 J jnl
CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats.
J. Comput. Chem.
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2010 J jnl
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations.
J. Comput. Chem.
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2007 J jnl
Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector.
Comput. Biol. Chem.
Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski