Emblem  Laboratory of Biomolecular Modeling  

— Binding of α-helical peptides and β-structural cardiotoxins with implicit membrane;

— Dimerization of glycophorin A TM segment in implicit membrane;

— Membrane-active proteins and peptides in full-atom model bilayers.

Efficient docking and virtual screening techniques to realistic membrane proteins’ models (in the first hand, GPCRs) is an ultimate objective of our laboratory.

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Our projects

Monte Carlo simulations of proteins in implicit membrane-mimic media

Molecular dynamics (MD) simulations of explicit membrane systems

Assessment of detailed hydrophobic/hydrophilic properties of globular and membrane proteins

Ligand—protein interactions

Electrostatic interactions in neurotoxin II from asian cobra Naja oxiana

Molecular modeling of membrane proteins

In silico prediction of single-point mutations enchancing protein thermostability

Address: 117997 Russia, Moscow, ul. Miklukho-Maklaya 16/10.
Tel.: +7 (495) 336-20-00.
Email: efremov@nmr.ru

© 2003–2007