39 results on '"Palyulin, V"'
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2. Virtual screening of organic molecule databases. Design of focused libraries of potential ligands of NMDA and AMPA receptors
3. 3D-Model of the Ion Channel of NMDA Receptor: Qualitative and Quantitative Modeling of the Blocker Binding
4. QSPR: Application to Heat Capacity Calculation
5. The Modeling of the Structure of the Cysteine-Rich Domain of Metabotropic Glutamate Receptors
6. The Study of the Mechanism of Binding of Human ML1A Melatonin Receptor Ligands Using Molecular Modeling
7. Calculation of the Enthalpy of Sublimation by the QSPR Method with the Use of a Fragment Approach
8. Molecular Modeling of the mGluR1 Metabotropic Glutamate Receptor Transmembrane Domain and Construction of the Model of Its Dimer
9. Structural and Functional Peculiarities of Homologous Domains of Angiotensin-Converting Enzyme
10. Fragmental descriptors in QSPR: flash point calculations
11. Fragmental descriptors in QSPR: application to molecular polarizability calculations
12. A Quantitative Model of Ligand Binding to the Glutamate Site of the GluR2 Subunit of AMPA Receptor
13. Molecular Dynamic Simulation of the Ligand–Receptor Complexes of the Aminoterminal Domain of the Metabotropic Glutamate Receptor mGluR1
14. Molecular Modeling of the Human A2a Adenosine Receptor
15. Molecular Modeling of the Ligand-Binding Domains of the NR3A and NR3B Subunits of the NMDA Receptor
16. Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds
17. Comparative Analysis of the Ligand-Binding Sites of the Metabotropic Glutamate Receptors mGluR1–mGluR8
18. Molecular Modeling the Human A1 Adenosine Receptor and Study of the Mechanisms of Its Selective Ligand Binding
19. Molecular Modeling of the Closed Forms of the Kainate-Binding Domains of Kainate Receptors and Qualitative Analysis of the Structure–Activity Relationships for Some Agonists
20. A New Binding Mode of Competitive Antagonists to Metabotropic Glutamate Receptors Exemplified by the mGluR1-Receptor Antagonist AIDA (RS-Aminoindan-1,5-Dicarboxylic Acid)
21. Construction of Neural-Network Structure–Condition–Property Relationships: Modeling of Physicochemical Properties of Hydrocarbons
22. Molecular Modeling of the Amino-Terminal Domain of the mGluR1 Glutamate Metabotropic Receptor by the Threading Method
23. A New Technique for Coding Chemical Structures Based on Basis Fragments
24. A Spatial Model of the Glycine Site of the NR1 Subunit of NMDA-Receptor and Ligand Docking
25. Computer Simulation of the Three-Dimensional Structure of the Glutamate Site of the NR2B Subunit of the NMDA Receptor
26. Prediction of Physical Properties of Organic Compounds Using Artificial Neural Networks within the Substructure Approach
27. Inverse Structure–Property Relationship Problem for the Case of a Correlation Equation Containing the Hosoya Index
28. Computer-Aided Prediction of the Mutagenic Activity of Substituted Polycyclic Compounds
29. A New Topological Model for the Calculation of Partial Atomic Charges
30. The Synthesis and Crystal and Molecular Structures of 3,7-Diacetyl- and 3,7-Bis(thioacetyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonanes
31. Neural-Network Model of the Lipophilicity of Organic Compounds Based on Fragment Descriptors
32. Method for the Construction of Universal Structure–Property Relationship Models using the Example of Normal Boiling Temperature for a Wide Set of Organic Compounds
33. Synthesis and Crystal and Molecular Structure of [1,3,5,7-Tetramethyl-3,7-diazabicyclo[3.3.1]nonane]dichlorocopper(II) Monohydrate
34. Synthesis and Crystal and Molecular Structure of 3,7-Dithenoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
35. Crystal and molecular structures of cyclohepta(p-phenylene sulfide) and cycloocta(p-phenylene sulfide)
36. Crystal and molecular structure of 1,5-diphenyl-3,7-diallyl-3,7-diazabicyclo[3.3.1]nonane-9-one
37. Organic compounds of selenium and tellurium: I. Reaction of selenium tetrahalides with 1,5 and 1,6-diolefins and their derivatives
38. Molecular structure of 1-methyl-5, 7-diphenyl-1, 3-diazaadamantan-6-one iodide
39. Ring contraction in the reaction of cyclic olefins with iodine(III)-containing reagents
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