We are a team of young scientists in the field of computational and medicinal chemistry.
We will be happy to solve your physicochemical and biochemical problems using molecular modeling methods.
We use a wide range of protocols and algorithms based on methods of classical quantum chemistry and molecular
mechanics, including ab initio molecular dynamics.
Ambident polyfluoroalkyl-substituted pyrazoles in the methylation reactions (Journal of Fluorine Chemistry, 2017, 11 citations)
Regiocontrolled N-, O- and C-methylation of 1-phenyl-3-polyfluoroalkyl-1H-pyrazol-5-ols (Journal of Fluorine Chemistry, 2018, 7 citation)
Unexpected Ring Opening During the Imination of Camphor-Type Bicyclic Ketones (European Journal of Organic Chemistry, 2020, 3 Citations)
Ortho-Cyclization in Asymmetrically Substituted Arylnitroso Oxides (Journal of Organic Chemistry, 2020, 4 Citations)
Lithiated Nafion plasticised by a mixture of ethylene carbonate and sulfolane (Electrochimica Acta, 2021, 12 Citations)
QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm (Batteries 2022, 1 citation)
Selection of influenza virus resistant to the novel camphor-based antiviral camphecene results in loss of pathogenicity (Virology, 2018, 23 Citations)
Can molecular dynamics explain decreased pathogenicity in mutant camphecene-resistant influenza virus? (Journal of Biomolecular Structure and Dynamics, 2021, 10 Citations)
Simulation of Molecular Dynamics of SARS-CoV-2 S-Protein in the Presence of Multiple Arbidol Molecules: Interactions and Binding Mode Insights (Viruses, 2022, 8 citations)
Borneol Ester Derivatives as Entry Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses (Viruses, 2022, 8 citations)
Discovery of N-Containing (-)-Borneol Esters as Respiratory Syncytial Virus Fusion Inhibitors (Pharmaceuticals, 2022, 4 Сitations)
New Inhibitors of Respiratory Syncytial Virus (RSV) Replication Based on Monoterpene-Substituted Arylcoumarins (Molecules, 2023, 3 citations)
Synthesis and Antiviral Activity of Camphene Derivatives against Different Types of Viruses (Molecules, 2021, 18 citations)
Design, Synthesis, and Biological Evaluation of (+)-Camphor- and (−)-Fenchone-Based Derivatives as Potent Orthopoxvirus Inhibitors (ChemMedChem, 2022, 5 citations)
Structure-Based Design, Synthesis, and Biological Evaluation of the Cage–Amide Derived Orthopox Virus Replication Inhibitors (Viruses, 2023, 2 Citations)
