Svitanko Igor

Publications in Math-Net.Ru

1. How to stop worrying and love multiple citation experimental data
   
   Mendeleev Commun., 35:2 (2025),  224–227
2. Reducing false-positive rates in virtual screening via cancellation of systematic errors in the scoring function
   
   Mendeleev Commun., 32:6 (2022),  735–738
3. Preliminary modelling as the first stage of targeted organic synthesis
   
   Usp. Khim., 90:7 (2021),  831–867
4. Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods
   
   Mendeleev Commun., 30:4 (2020),  430–432
5. Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors
   
   Mendeleev Commun., 30:4 (2020),  419–420
6. Molecular foundations of COVID-19 pathogenesis
   
   Usp. Khim., 89:8 (2020),  858–878
7. Diphenylacetylene hydrogenation on a PdAg /Al₂O₃ single-atom catalyst: an experimental and DFT study
   
   Mendeleev Commun., 27:6 (2017),  615–617
8. Charge redistribution in the SpnF-catalyzed Diels–Alder reaction
   
   Mendeleev Commun., 27:5 (2017),  500–502
9. Modeling comparative selectivity profiles of kinase inhibitors using FEP/MD protocol
   
   Mendeleev Commun., 27:4 (2017),  349–351
10. Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site
    
    Mendeleev Commun., 27:3 (2017),  224–227
11. Novel PARP1 inhibitors potentiate doxorubicin antitumor activity in vitro
    
    Mendeleev Commun., 25:5 (2015),  364–366
12. Modeling of the Diels–Alder reaction enantioselectivity by quantum mechanics and molecular mechanics
    
    Mendeleev Commun., 25:4 (2015),  269–270
13. Combining 3D-QSAR and molecular docking for the virtual screening of PARP inhibitors
    
    Mendeleev Commun., 25:3 (2015),  214–215
14. Target synthesis of bioactive thioglycolurils, based on QSAR predictions
    
    Mendeleev Commun., 23:4 (2013),  202–203
15. Efficacy of Novel Syk-Kinase Inhibitors MT-SYK-03 and MT-SYK-322 in Cellular Models of Autoimmunity and Cancer
    
    Mendeleev Commun., 22:6 (2012),  287–289
16. Rational design and synthesis of novel Syk-kinase inhibitors
    
    Mendeleev Commun., 22:2 (2012),  73–74
17. Rational design and synthesis of new PARP1 inhibitors
    
    Mendeleev Commun., 22:1 (2012),  15–17
18. The first synthesis and molecular docking studies of diastereomerically pure substituted 4-amino-7-hydroxyheptanoic acids
    
    Mendeleev Commun., 21:4 (2011),  183–185
19. QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)
    
    Mendeleev Commun., 17:2 (2007),  90–91
20. The Surface Molecular Potential Method for Calculating the Structure–Activity Relationship for Psychotropic Compounds
    
    Mendeleev Commun., 5:2 (1995),  49–51
21. A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship
    
    Mendeleev Commun., 4:5 (1994),  161–162