15 citations · 15 across the 2 of their papers we have counts for
2 papers
cond-mat.soft2025
Chelation of the mercury ions by polyethyleneimine: Atomistic molecular dynamics study
Halyna Butovych, Jaroslav Ilnytskyi, Erkki Lahderanta +1
Contamination of water by heavy metal ions represents a significant environmental concern. Among various remediation methods, chelation has proven to be an effective technique in w…
cond-mat.soft2021★ 15 cited
Modeling of polymer-enzyme conjugates formation: Thermodynamic perturbation theory and computer simulations
Halyna Butovych, Yurij V. Kalyuzhnyi, Taras Patsahan +1
A simple model for the formation of the polymer-enzyme conjugates has been proposed and described using corresponding extension of the Wertheim's first-order thermodynamic perturba…