Roman G. Efremov

Personal information

1987—1991: laboratory courses in optical spectral methods and data processing for students of biophysics.

M.M. Shemyakin & Yu.A. Ovchinnikov Institute of Bioorganic Chemistry, Moscow.

1993—1996: cycle of lectures and practical courses (50 hours/year) entitled: “Empirical methods in computer simulations of molecules” for masters specializing in Molecular Engineering.

University of Science & Technology of Lille, School of Engineers (EUDIL).

1997–present: lectures for 6th-year students of the Moscow Institute of Physics and Technology (in IBCh RAS).

1999–present: lectures for 5th-year students of the Moscow Institute of Physics and Technology (in the Joint Supercomputer Center RAS).

2001–present: lectures for 2d- and 3d-year students of the Moscow State University, Biological Faculty, Department of Bioengineering.


PeriodCountry, cityEducation institutionAdditional info
1977–1983 Russia, Moscow Moscow Engeneering and Physical Institute, Department of Experimental and Theoretical Physics Ms in biophysics and radiation physics (thesis: «Mathematical algorithms in protein secondary structure determination based on Raman spectroscopic data and prediction techniques»)
1986 Russia, Moscow M.V. Lomonosov Moscow State University (biological faculty) PhD in physics & mathematics (thesis: Topography and microenvironment of chromophore-binding sites in bacterial and visual rhodopsins. Resonance Raman spectroscopy and quantum chemical calculations)
1999 Russia, Moscow M.V. Lomonosov Moscow State University (biological faculty) DSc in physics & mathematics; specialization: molecular biophysics (thesis: Molecular modeling of membrane-bound domains of proteins and peptides)
2007 Russia, Moscow M.V. Lomonosov Moscow State University (biological faculty) Awarded professor dedree in biophysics

Main scientific results

Principal research results are related to development and application of novel methods for studies of the spatial structure of proteins and peptides using optical spectroscopy and molecular modeling. The results were published in some 100 papers in peer-reviewed scientific journals.

1985—1992. A series of studies dealing with the development of new methods in resonance (RR) and surface-enhanced (SER) Raman scattering of peptides and proteins. SER spectra of two membrane proteins — bacterial and visual rhodopsins — were detected for the first time. Based on the spectral data and the results of quantum chemical calculations, topology of the chromophore-binding sites of the two proteins was investigated. For a number of membrane proteins, UV RR spectra were obtained for the first time. Efficient methods for digital processing of signals in RR spectra of proteins were elaborated.

1992-1997. A series of molecular modeling studies of the structure of transmembrane (TM) domain of Na,K-ATPase was carried out. Detailed mapping of the spatial hydrophobic/hydrophilic properties of TM helices was done for the first time using the concept of the molecular hydrophobicity potential (MHP) approach. The MHP-technique was also employed to assess hydrophobic organization of a number of water-soluble and membrane proteins and peptides.

1997—2001. An original theoretical model of implicit membrane was developed. The model is destined for simulations of proteins and peptides in membrane-mimic environment. Computational results obtained for a large number of transmembrane and peripheral peptides were shown to agree well with the experimental data.

2002–present. Development of state-of-the-art multiscale approaches in computational modeling of peptides and proteins in membranes of different composition and in water. Application of the approaches to study protein-protein, protein-membrane, and protein-ligand interactions. Employment of the developed techniques in investigation of peripheral and integral membrane proteins, membrane-active peptides, as well as in rational molecular design of novel biologically active compounds with predefined properties — acting on targets in cell membranes. Creation of the united informational/computational complex for high-throughput molecular modeling of proteins and peptides.

Selected publications (show all)


Scientific projects