Laboratory for Theoretical and Computer Studies of Biological Macromolecules and Genomes

The Laboratory for Theoretical and Computer Studies of Biological Macromolecules and Genomes is an interdisciplinary laboratory within the framework of the Center, which is focused on various problems in bioinformatics and computational biology. Also, the Laboratory provides computational facilities and support for other laboratories of the Center.

The head of the Laboratory, Prof. Francisco Rodriguez-Valera, is a pioneer in the field of metagenomic assembly of microbial genomes (MAG) and one of the world's leading scientists in the field of systematics and molecular biology of archaea.
Our priority objectives are:
•    Functional annotation of metagenomic data sets and search for proteins which can be used in biotechnology and medicine. In particular, identification of novel rhodopsins with unique properties that allow to use them as optogenetic tools.
•    Studying the relationship between the primary amino acid sequence of GPCRs and microbial rhodopsins and their structural and functional features using machine learning and molecular modeling approaches.
•    Studying the mechanisms of accurate recognition of host cells by viruses and re-construction of molecular models of protein complexes responsible for this process.
•    Development of approaches, including coarse-grained molecular dynamics simulations, for integrative modeling of large biomolecular complexes, in particular, for constructing realistic models of membrane receptors of eu- and prokaryotes, as well as for modeling of their specific lipid environment.
•    Virtual screening of low molecular weight ligands of GPCRs and computer-aided drug design. Development and application of machine learning techniques for prediction of various physico-chemical and medico-chemical properties of low molecular weight compounds.
In addition to tight integration with other laboratories of the Center, our laboratory also collaborates with research groups from M.V. Lomonosov Moscow State University, Miguel Hernandez University (Spain), University of Southern California (USA)

Prof. Francisco Rodriguez-Valera

Head of the Laboratory

Dr. Philipp Orekhov

Deputy Head of the Laboratory

Dr. Marine Bozdaganyan

Senior Researcher

Dr. Riccardo Rosselli

Senior Researcher