Diploma works prepared in the Laboratory in the past years:

  • Akimov D.V., MBF RSMU. “Computer Search for HIV-1 Integrase Inhibitors”.
  • Aleksandrov K.E., MBF RSMU. “Information Resource on Functional Mapping of Hepatitis C viral proteins”.
  • Bezhentsev V.M., Higher School of Economics. “Search for Novel Inhibitors of HIV Integrase Using Methods of Structural Bioinformatics”.
  • Dmitriev A.V., MBF RSMU. “Computer Prediction of Chemical Compounds Biotransformations by CYP3A4”.
  • Druzhilovskiy D.S., MBF RSMU. “Computer Prediction of HIV-1 Integrase Inhibitors”.
  • Dubovskaja (Konova) V.I.
    , «Computer-Aided Finding of Chemicals with Cytotoxic Action on Breast Cancer Cell Lines».
  • Filz O.A., MBF RSMU. “Computer-Aided Design of Organic Compounds with the Required Properties from the Libraries of Structural Fragments”.
  • Fomenko A.E., MBF RSMU.“Analysis of Structure-Function Relationships in Serine Proteases by Bioinformatics Methods”.
  • Ivanov S.M., MBF RSMU. “Computational Search for Molecular Targets Associated with Adverse Effects of Non-Steroid Anti-Inflammatory Drugs”.
  • Karasev D.A., MBF RSMU. “Analysis of Amino Acid Sequences Responsible for Specificity of Protein Substrates to Protein Kinases MAPK and CDK”.
  • Koborova O.N., FBB MSU. “Development of Method for Estimating Antineoplastic Targets Promising for Breast Cancer Therapy”.
  • Konova V.I., MBF RSMU.“Search for Promising Pharmacological Targets for Therapy of Alzheimer’s Disease”.
  • Lagunin A.A., MBF RSMU. “Expert System on Relationships between Pharmacological Effects
    and Mechanisms of Actions in Biologically Active Compounds”.
  • Levchenko M.E., MBF RSMU. “Receptors of Excitatory Amino Acids: Computer Search for New Ligands and Analysis of Mechanisms”.
  • Martynova N.B., MBF RSMU. “Creation of Virtual Combinatory Libraries of Oligopeptides and Peptidomimetics for Search of New Lead Compounds”.
  • Murtazalieva Kh.A., MBF RSMU. “Computer-Aided Finding and Experimental Validation of Pharmaceutical Agents Acting on MDA-MB-231 Cell Line”.
  • Pogodin P.V., MBF RSMU. “Computer-Aided Prediction of Low Molecular Weight Organic Compounds Interaction with Protein Targets Based On PASS Software and ChEMBL Database”.
  • Potapov V.Yu., MBF RSMU. “About the Role of Electrostatic Interaction in Formation of Protein-Protein Complexes”.
  • Sadym (Rudik) A.V., MEPhI. “Development of Internet System for Prediction of Biological Activity Spectra”.
  • Saulin P.S., MBF RSMU. “Peculiarities of Amino Acid Composition of T-epitopes”.
  • Semin M.I., MBF RSMU. “Computational Approach to Estimation of Drug-Drug Interactions Causing the Hepatotoxicity.
  • Serezhenkina I.V., MBF RSMU. “Functional and Antigenic Mapping of the Amino Acid Sequences of Structural Proteins of Flaviviridae Viruses”.
  • Sergeyko A.V., MBF RSMU. “Computation of Macrolide’s Chemical Structure on the Basis of Domain Structure of Protein Synthesize Complex”.
  • Veselova D.A., MBF RSMU. “Analysis of 3D Patterns of Enzyme Specificity of Protein Phosphorylation with the Developed Software Tools”.
  • Urusova A.F., MBF RSMU. “Development of algorithm for selection of data for creating quantitative structure-activity relationship models using HIV-1 reverse transcriptase as a case study”.
  • Zakharov A.V., MBF RSMU. “Quantitative Structure-Activity Relationships of Cyclin-Depended Kinase 1 Inhibitors”.

Ph.D. Theses prepared in the Laboratory in the past years:

  • Akimov D.V. “Computer-Aided Search for New HIV-1 Integrase Inhibitors”.
  • Borodina Yu.V., “Computer Analysis of Similarity between Pharmaceutical Substances and Endogenous Bioregulators and Their Synthetic Analogues”.
  • Dmitriev A.V. “Computer-Aided Prediction of Xenobiotics’ Interaction with Human Cytochromes P450”.
  • Druzhilovskiy D.S. “Search and Optimization of New HIV-1 Integrase Inhibitors on the Basis of Computer-Aided Predictions”.
  • Dubovskaja (Konova) V.I., «Computer-Aided Finding of Chemicals with Cytotoxic Action on Breast Cancer Cell Lines».
  • Eremeevskaya (Koborova) O.N. “Search for Pharmacological Targets for Breast Cancer Therapy on the Basis of Computational Modeling of Cell Cycle”.
  • Lagunin A.A. “Search for New Biologically Active Compounds on the Basis of Computer Analysis of Structure-Mechanisms-Effects Relationships”.
  • Linde D.M. “Intermolecular Recognition in Globular Proteins From Brookhaven’s Data Bank”.
  • Romero Reyes I.V. “Estimating affinity of protein-ligand complexes using neural networks”.
  • Rudik A.V. “Computer Prediction of Xenobiotic’s Biotransformations”.
  • Sergeiko A.V. “Computer-Aided Design of Enzymatic Systems Providing Biosynthesis of Macrolides with the Required Properties”.
  • Tarasova (Filz) O.A. “Design of compounds with the required biological activity by combination of functionally-important fragments”.
  • Zakharov A.V. “Prediction of qualitative properties of organic compounds on the basis of descriptors of atomic neighborhoods”.

Dr.Sci. Thesesprepared in the Laboratory in the past years:

  • Lagunin A.A. “Computer-Aided Estimation of Pleiotropic Action of Pharmacological Substances”.