Results of Monte Carlo simulations of cytotoxin II from asian cobra Naja oxiana in membrane-mimic media. Starting (left), intermediate (middle), and lowest-energy (right) states. Nonpolar layer of membrane is gray hatched.
Our main interests include computer simulations of membrane and membrane-active peptides and proteins, especially development of protein solvation models for membrane-mimic media. Among the objects we are working on: cardiotoxins, fusion peptides, seven-helix receptors of the GPCR family, glycophorin A and its dimers, signal peptides.
Among our objectives is understanding of spatial structure-function relationships for membrane proteins via molecular modeling techniques.
For more information see our projects.
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Address: 117997 Russia, Moscow, ul. Miklukho-Maklaya 16/10.