Medvedev Michael G

Publications in Math-Net.Ru

1. Reducing false-positive rates in virtual screening via cancellation of systematic errors in the scoring function
   
   Mendeleev Commun., 32:6 (2022),  735–738
2. Introducing LibXC into GAMESS (US)
   
   Mendeleev Commun., 31:3 (2021),  302–305
3. Hybrid iodobismuthates code: adapting the geometry of Bi polyhedra to weak interactions
   
   Mendeleev Commun., 31:2 (2021),  166–169
4. DFT and experimental study of triallylborane-mediated isomerization of α-allylated azaheterocycles
   
   Mendeleev Commun., 29:2 (2019),  190–193
5. Interplay between test sets and statistical procedures in ranking DFT methods: The case of electron density studies
   
   Mendeleev Commun., 28:3 (2018),  225–235
6. Diphenylacetylene hydrogenation on a PdAg /Al₂O₃ single-atom catalyst: an experimental and DFT study
   
   Mendeleev Commun., 27:6 (2017),  615–617
7. Supramolecular stereoelectronic effect in hemiketals
   
   Mendeleev Commun., 27:6 (2017),  595–598
8. Charge redistribution in the SpnF-catalyzed Diels–Alder reaction
   
   Mendeleev Commun., 27:5 (2017),  500–502
9. Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site
   
   Mendeleev Commun., 27:3 (2017),  224–227
10. Solvent-free cascade assembling of salicylic aldehydes and malononitrile: rapid and efficient approach to 2-amino-4H-chromene scaffold
    
    Mendeleev Commun., 23:2 (2013),  94–95