Egor Kolesnikov
Projects
In progress
A new model including the implicit water model and explicit was developed to simulate highly charged large systems that require enormous amounts of water to simulate. It shows the ability to reproduce ion distributions around DNA qualitatively correctly. Using the model we are to explore the behaviour of nucleosomes in different conditions to reveal the physical basis of epigenetic phenomena. The model is already available in AMBER package (Tutorial)
2023
I am interested in revealing the physical basis of the chromatin compaction. In particular, what exact physical processes and parameters allow cells to distinguish the genes needed to express and ones that should be silent for now?
Using MD simulations in the presence of PEG and a multi-shell model of ion-induced DNA condensation we have estimated the difference of DNA aggregation energy in solutions with NaCl and KCl. The probability of DNA aggregation in the presence of sodium is ~1.5 of an order higher than that of potassium. Our estimations allow us to explain experimental observations. *Picture is a link
2021
We have tested the ability of 3 widely used water models to represent the distributions of sodium and potassium ions around DNA. The most significant difference was found near the DNA helical axis. *Picture is a link