| Photoinduced dynamics of formic acid monomers and dimers: The role of the double hydrogen bond J Novak, M Mališ, A Prlj, I Ljubić, O Kühn, N Došlić The Journal of Physical Chemistry A 116 (46), 11467-11475, 2012 | 31 | 2012 |
| Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking J Novak, H Rimac, S Kandagalla, P Pathak, V Naumovich, M Grishina, ... Journal of Biomolecular Structure and Dynamics 40 (19), 9347-9360, 2022 | 25 | 2022 |
| Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil–water clusters B Milovanović, J Novak, M Etinski, W Domcke, N Došlić Physical Chemistry Chemical Physics 23 (4), 2594-2604, 2021 | 25 | 2021 |
| Gaussian field-based 3D-QSAR and molecular simulation studies to design potent pyrimidine–sulfonamide hybrids as selective BRAF V600E inhibitors AK Singh, J Novak, A Kumar, H Singh, S Thareja, P Pathak, M Grishina, ... RSC Advances 12 (46), 30181-30200, 2022 | 21 | 2022 |
| One catalyst for both enantiomers: uncovering the inversion of enantioselectivity in cinchona-mediated desymmetrization of glutaric meso-anhydrides T Ivšić, J Novak, N Došlić, Z Hameršak Tetrahedron 68 (39), 8311-8317, 2012 | 20 | 2012 |
| Photochemistry of 1‐ and 2‐Naphthols and Their Water Clusters: The Role of 1ππ*(La) Mediated Hydrogen Transfer to Carbon Atoms J Novak, A Prlj, N Basarić, C Corminboeuf, N Došlić Chemistry–A European Journal 23 (34), 8244-8251, 2017 | 19 | 2017 |
| Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database J Novak, H Rimac, S Kandagalla, MA Grishina, VA Potemkin Future Medicinal Chemistry 13 (4), 363-378, 2021 | 17 | 2021 |
| Shaping the infrared spectrum of the acetic acid dimer in the OH-stretching range: Multiple conformers and anharmonic coupling M Petković, J Novak, N Došlić Chemical physics letters 474 (4-6), 248-252, 2009 | 16 | 2009 |
| Design, synthesis, antibacterial evaluation, and computational studies of hybrid oxothiazolidin–1, 2, 4‐triazole scaffolds P Pathak, J Novak, PK Shukla, M Grishina, V Potemkin, A Verma Archiv der Pharmazie 354 (6), 2000473, 2021 | 13 | 2021 |
| Fluorinated twist-bend nematogens: the role of intermolecular interaction A Knežević, I Dokli, J Novak, D Kontrec, A Lesac Liquid Crystals 48 (5), 756-766, 2021 | 13 | 2021 |
| Mechanism of ultrafast non-reactive deactivation of the retinal chromophore in non-polar solvents M Mališ, J Novak, G Zgrablić, F Parmigiani, N Došlić Physical Chemistry Chemical Physics 19 (38), 25970-25978, 2017 | 13 | 2017 |
| Polyphenolic rich extract of Oroxylum indicum alleviate β-glucuronidase activity via down-regulate oxidative stress: Experimental and computational studies P Pathak, J Novak, V Naumovich, M Grishina, A Balkrishna, N Sharma, ... Biocatalysis and Agricultural Biotechnology 29, 101804, 2020 | 11 | 2020 |
| New Brush-Type Chiral Stationary Phases for Enantioseparation of Pharmaceutical Drugs A Knežević, J Novak, V Vinković Molecules 24 (4), 823, 2019 | 11 | 2019 |
| A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study J Novak, VA Potemkin Molecular Diversity 26 (5), 2631-2645, 2022 | 10 | 2022 |
| Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease J Novak, MA Grishina, VA Potemkin, J Gasteiger Future Medicinal Chemistry 12 (4), 299-309, 2020 | 8 | 2020 |
| Electronic properties investigation of human dihydrofolate reductase complexes with ligands V Naumovich, M Grishina, J Novak, P Pathak, V Potemkin, M Shahbaaz, ... Journal of Biomolecular Structure and Dynamics 40 (11), 4775-4790, 2022 | 7 | 2022 |
| Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking S Kandagalla, J Novak, SB Shekarappa, MA Grishina, VA Potemkin, ... Journal of Biomolecular Structure and Dynamics 40 (24), 13547-13563, 2021 | 7 | 2021 |
| Can Resveratrol Influence the Activity of 11β-Hydroxysteroid Dehydrogenase Type 1? A Combined In Silico and In Vivo Study J Novak, VE Tseilikman, OB Tseilikman, SS Lazuko, LE Belyeva, ... Pharmaceuticals 16 (2), 251, 2023 | 6 | 2023 |
| Resistance to Resveratrol Treatment in Experimental PTSD Is Associated with Abnormalities in Hepatic Metabolism of Glucocorticoids VE Tseilikman, JO Fedotova, OB Tseilikman, J Novak, MN Karpenko, ... International Journal of Molecular Sciences 24 (11), 9333, 2023 | 6 | 2023 |
| Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches S Kandagalla, H Rimac, K Gurushankar, J Novak, M Grishina, V Potemkin PeerJ 10, e13374, 2022 | 6 | 2022 |
Vladimir PotemkinSouth Ural State University在 susu.ru 的电子邮件经过验证
