The design of compounds with desirable properties – The anti‐HIV case study
Novak, Jurica, Pathak, Prateek, Grishina, Maria A., Potemkin, Vladimir A.
Published in Journal of computational chemistry (15.04.2023)
Published in Journal of computational chemistry (15.04.2023)
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Journal Article
Internet Resources for Drug Discovery and Design
Potemkin, Vladimir, Potemkin, Andrey, Grishina, Maria
Published in Current topics in medicinal chemistry (01.01.2018)
Published in Current topics in medicinal chemistry (01.01.2018)
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Journal Article
Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective
Kumar, Adarsh, Singh, Ankit Kumar, Singh, Harshwardhan, Vijayan, Veena, Kumar, Deepak, Naik, Jashwanth, Thareja, Suresh, Yadav, Jagat Pal, Pathak, Prateek, Grishina, Maria, Verma, Amita, Khalilullah, Habibullah, Jaremko, Mariusz, Emwas, Abdul-Hamid, Kumar, Pradeep
Published in Pharmaceuticals (Basel, Switzerland) (14.02.2023)
Published in Pharmaceuticals (Basel, Switzerland) (14.02.2023)
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Journal Article
Electron Density Analysis of SARS-CoV-2 RNA-Dependent RNA Polymerase Complexes
Palko, Nadezhda, Grishina, Maria, Potemkin, Vladimir
Published in Molecules (Basel, Switzerland) (28.06.2021)
Published in Molecules (Basel, Switzerland) (28.06.2021)
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Journal Article
Complementarity principle in terms of electron density for the study of EGFR complexes
Kandagalla, Shivananda, Rimac, Hrvoje, Potemkin, Vladimir A, Grishina, Maria A
Published in Future medicinal chemistry (01.05.2021)
Published in Future medicinal chemistry (01.05.2021)
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Journal Article
Electron density analysis of CDK complexes using the AlteQ method
Rimac, Hrvoje, Grishina, Maria A, Potemkin, Vladimir A
Published in Future medicinal chemistry (01.08.2020)
Published in Future medicinal chemistry (01.08.2020)
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Journal Article
Concept of Hybrid Drugs and Recent Advancements in Anticancer Hybrids
Singh, Ankit Kumar, Kumar, Adarsh, Singh, Harshwardhan, Sonawane, Pankaj, Paliwal, Harshali, Thareja, Suresh, Pathak, Prateek, Grishina, Maria, Jaremko, Mariusz, Emwas, Abdul-Hamid, Yadav, Jagat Pal, Verma, Amita, Khalilullah, Habibullah, Kumar, Pradeep
Published in Pharmaceuticals (Basel, Switzerland) (28.08.2022)
Published in Pharmaceuticals (Basel, Switzerland) (28.08.2022)
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Journal Article
Theoretical and experimental study on Chloroquine drug solubility in supercritical carbon dioxide via the thermodynamic, multi-layer perceptron neural network (MLPNN), and molecular modeling
Ardestani, Nedasadat Saadati, Amani, Mitra, Grishina, Maria, Shirazian, Saeed
Published in Arabian journal of chemistry (01.12.2022)
Published in Arabian journal of chemistry (01.12.2022)
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Journal Article
Debelalactone Prevents Hepatic Cancer via Diminishing the Inflammatory Response and Oxidative Stress on Male Wistar Rats
Pathak, Prateek, Kumar, Vikas, Khalilullah, Habibullah, Grishina, Maria, Singh, HariOm, Verma, Amita
Published in Molecules (Basel, Switzerland) (14.07.2022)
Published in Molecules (Basel, Switzerland) (14.07.2022)
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Journal Article
Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking
Kandagalla, Shivananda, Novak, Jurica, Shekarappa, Sharath Belenahalli, Grishina, Maria A., Potemkin, Vladimir A., Kumbar, Bhimanagoud
Published in Journal of biomolecular structure & dynamics (01.01.2022)
Published in Journal of biomolecular structure & dynamics (01.01.2022)
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Journal Article
Facile Access to 2-Selenoxo-1,2,3,4-tetrahydro-4-quinazolinone Scaffolds and Corresponding Diselenides via Cyclization between Methyl Anthranilate and Isoselenocyanates: Synthesis and Structural Features
Osmanov, Vladimir K., Chipinsky, Evgeniy V., Khrustalev, Victor N., Novikov, Alexander S., Askerov, Rizvan Kamiloglu, Chizhov, Alexander O., Borisova, Galina N., Borisov, Alexander V., Grishina, Maria M., Kurasova, Margarita N., Kirichuk, Anatoly A., Peregudov, Alexander S., Kritchenkov, Andreii S., Tskhovrebov, Alexander G.
Published in Molecules (Basel, Switzerland) (01.09.2022)
Published in Molecules (Basel, Switzerland) (01.09.2022)
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Journal Article
Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches
Kandagalla, Shivananada, Rimac, Hrvoje, Gurushankar, Krishnamoorthy, Novak, Jurica, Grishina, Maria, Potemkin, Vladimir
Published in PeerJ (San Francisco, CA) (02.06.2022)
Published in PeerJ (San Francisco, CA) (02.06.2022)
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Journal Article