Danuta Leszczynska

Publication Activity (10 Years)

Years Active: 2007-2021
Publications (10 Years): 5

Top Topics

Physicochemical Properties

Structural Information

Activity Patterns

Top Venues

J. Comput. Chem.

Comput. Biol. Medicine

Publications

Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells. Comput. Biol. Medicine 136 (2021)
Andrey A. Toropov, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski
"Ideal correlations" for biological activity of peptides. Biosyst. 181 (2019)
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. Biosyst. (2018)
Supratik Kar, Juganta K. Roy, Danuta Leszczynska, Jerzy Leszczynski
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. 5 (1) (2017)
Liudmyla K. Sviatenko, Leonid Gorb, Frances C. Hill, Danuta Leszczynska, Jerzy Leszczynski
Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach. J. Comput. Chem. 37 (13) (2016)
Liudmyla K. Sviatenko, Olexandr Isayev, Leonid Gorb, Frances C. Hill, Danuta Leszczynska, Jerzy Leszczynski
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. 36 (14) (2015)
Andrey A. Toropov, Alla P. Toropova, Ivan Raska Jr., Danuta Leszczynska, Jerzy Leszczynski
Comprehension of drug toxicity: Software and databases. Comput. Biol. Medicine 45 (2014)
Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. J. Comput. Chem. 33 (23) (2012)
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. J. Comput. Chem. 32 (12) (2011)
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J. Comput. Chem. 31 (2) (2010)
Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector. Comput. Biol. Chem. 31 (2) (2007)