Third International School-Seminar "From Empirical to Predictive chemistry"


Tentative date of poster session:

April 5, at 17:40.

The duration of session is 1 hour 20 minutes.

The posters must be displayed in the poster area at any time, but before 16:00 on April, 5. The organisers will provide to the authors the necessary material to display their posters. The posters will be attached on the pre-installed panels. The authors must be present near their presentation during the poster sessions.

The posters should be prepared in English only!

The size of the poster should be 90 cm x 120 cm. Any orientation of the poster on the panel is possible. Portrait orientation is preferable.

Note: Organizing Committee assumes no responsibility for any damage to the exhibited posters and for their safety. Posters that have not been removed by the end of the Conference will be removed and destroyed.

List of poster presentations:

  1. Amangeldiuly Nurlybek "TRENDS IN FUNDING GRANT PROJECTS DEMONSTRATED ON ARAMIDS RESEARCH EXAMPLE"

  2. Burganov Timur "STUDY OF STRUCTURES AND PHOTOPHYSICAL PROPERTIES OF THE NOVEL ENANTIOPURE PHOSPHOLES"

  3. Gordeeva Antonina "STRUCTURE OF GEL BASED ON κ-CARRAGEENAN-GELATIN POLYELECTROLYTE COMPLEXES"

  4. Ismagilova Rezeda "DFT STUDY OF MECHANISM OF THE REACTIONS OF SECONDARY PHOSPHINE CHALCOGENIDES WITH ALKENES"

  5. Ivanov Nikita "THE ESTIMATION AND APPLICATION OF FRAGMENTS’ CONTRIBUTIONS TO THE LIGAND BINDING ENERGY"

  6. Koshkarov Alexander "THE INFLUENCE OF OLIGOMERIZATION ON THE DYNAMIC STRUCTURE OF D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE"

  7. Kulkova Elena "THE ORIGIN OF THE CALIXARENE SELECTIVITY TO CESIUM CATION FROM THE BORN-OPPENHEIMER MOLECULAR DYNAMIC SIMULATIONS"

  8. Levitskaya Alina "DESIGN OF ORGANIC ELECTROOPTIC MATERIALS: FROM PREDICTIVE TO EMPIRICAL CHEMISTRY"

  9. Novikova Daria "BINDING SITE PREDICTION FOR 3-BENZYLIDENE OXINDOLES BASED ON EXPERIMENTAL DATA"

  10. Orlova Daria "COMPUTER AIDED DESIGN OF COMPOUNDS FOR THE DETERMINATION OF POTENTIAL PROTEIN TARGETS"

  11. Pats Karina "THE USAGE OF MACHINE LEARNING APPROACHES FOR GENERATION OF LIGANDS, AFFINE TO THE DEFINED BIOLOGICAL TARGET"

  12. Safarova Enzhe "INTERACTIONS OF BINASE WITH A POLYSACCHARIDE DETERMANIED BY MOLECULAR DYMANICS SIMULATIONS"

  13. Savosina Polina "INFLUENCE OF ALTERNATIVE SPLICING ON THE PROTEIN FUNCTION BY CHANGING THEIR PHOSPHORYLATION PROFILES"

  14. Scherbakov Kirill "MODELLING OF INTERACTION OF NOVEL OXAZOLINE DERIVATIVES OF 17(20)E-PREGNA-5,17(20)-DIENE WITH HUMAN ANDGROGEN RECEPTOR"

  15. Shaymardanov Arslan "SPEEDING UP CALCULATION OF EMPIRICAL ATOMIC CHARGES BY MEANS OF ITERATIVE LINEAR SYSTEM SOLVERS"

  16. Shteingolc Sergey "DIFFERENT GEOMETRIC MODELS FOR REFINEMENT OF PENTACYANOPROPENE ANION’S LOCATION IN ITS ORGANIC SALTS"

  17. Sosnina Ekaterina "INFLUENCE OF DESCRIPTOR IMPLEMENTATION ON COMPOUND ASSESSMENT"

  18. Sviridova Elizaveta "DEVELOPMENT OF COMPLEX OPTIMIZATION SYSTEM FOR INCREASING THE EFFICIENCY OF THE GASOLINE PRODUCTION"

  19. Telegin Felix "QSPR ANALYSIS OF BODIPY DYES IN CHEMISTRY AND HIGH-TECH ENGINEERING"

  20. Telegin Felix "DATABASE AND QSPR ANALYSIS OF ANIONIC DYES FOR TEXTILE COLORATION"

  21. Vasilyev Ilya "NON-COVALENT INTERACTIONS IN COMPOSITE POLYMER MATERIALS WITH QUADRATIC NONLINEAR OPTICAL ACTIVITY: ATOMISTIC MODELING AND DFT STUDY"

  22. Zankov Dmitriy "MODEL THAT COULD SIMULTANEOUSLY LEARN TAUTOMERIC EQUILIBRIUM AND ACIDITY CONSTANTS"

  23. Zharkov Dmitry "THE INFLUENCE OF POINT MUTATIONS ON THE INTRA-MOLECULAR DYNAMICS OF D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE"

  24. Shalin Nikita "THE CHOICE OF APPROPRIATE DENSITY FUNCTIONAL FOR THE CALCULATION OF FIRST HYPERPOLARIZABILITY OF CIS- AND TRANS-ISOMERIC FORMS OF AZOCHROMOPHORES"

  25. Akhmetshin Tagir "DEVELOPMENT OF A PREDICTION’ PERFORMANCE METRIC FOR CHEMICAL REACTIONS' MODELS"

  26. Fatykhova Adeliya "ON-LINE REACTION DATABASE CARTRIDGE WITH BUILT-IN CONDENSED GRAPH OF REACTION-BASED SEARCH ENGINE"

  27. Gimadiev Timur "ASSESSMENT OF TAUTOMER DISTRIBUTION USING THE CONDENSED GRAPH OF REACTION APPROACH"

  28. Semin Maxim "IN SILICO ASSESSMENT OF ADVERSE EFFECTS OF DRUG COMBINATIONS ON THE HEPATOBILIARY SYSTEM"

  29. Nugmanov Ramil "CGRTOOLS – LIBRARY FOR CGR BASED REACTIONS MANAGEMENT AND ANALYSIS"

  30. Rakhimbekova Assima "COMPARISON OF THE APPLICABILITY DOMAIN FOR CHEMICAL REACTIONS"

  31. Khayrullina Adelya "MACHINE LEARNING METHODS TO FIND ATOM-TO-ATOM MAPPING IN REACTIONS"

  32. Glavatskikh Marta "TAUTOMERIC EQUILIBRIA: MODELING AND VISUALIZATION"


April 04, 2018 at 15:39. Ramil Nugmanov