MG
Maria Grishina
Research areas: Chemistry · Physical and Theoretical Chemistry · Computational Drug Discovery Methods · Crystallography and molecular interactions · Advanced Chemical Physics Studies
0000-0002-2573-4831
Employment
Employment history is unavailable.
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (75)
- Development and application of a new structural modeling approach for FTIR analysis of gelatin via PM3 calculations Save
- Developing Lewis acid centers on Ti-Si mixed oxide for esterification of adipic acid Save
- Oxazoline/amide derivatives against M. tuberculosis : experimental, biological and computational investigations Save
- Machine learning-based prediction of bioactivity in HIV-1 protease: insights from electron density analysis Save
- Design, one-pot synthesis, computational and biological evaluation of diaryl benzimidazole derivatives as MEK inhibitors Save
- Unraveling the multifaceted role of nanoemulsions as drug delivery system for the management of cancer Save
- AlteQ: a new complementarity principle-centered method for the evaluation of docking poses Save
- Exploring the potential and identifying Withania somnifera alkaloids as novel dihydrofolate reductase (DHFR) inhibitors by the AlteQ method Save
- Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors Save
- Challenges and Opportunities in the Crusade of BRAF Inhibitors: From 2002 to 2022 Save
- Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective Save
- Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking Save
- Chitosan based architectures as biomedical carriers Save
- Theoretical and experimental study on Chloroquine drug solubility in supercritical carbon dioxide via the thermodynamic, multi-layer perceptron neural network (MLPNN), and molecular modeling Save
- Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking Save
- In silicovalidation of novel inhibitors of malarial aspartyl protease, plasmepsin V and antimalarial efficacy prediction Save
- Guava Leaf Essential Oil as a Potent Antioxidant and Anticancer Agent: Validated through Experimental and Computational Study Save
- Concept of Hybrid Drugs and Recent Advancements in Anticancer Hybrids Save
- Electronic properties investigation of human dihydrofolate reductase complexes with ligands Save
- Debelalactone Prevents Hepatic Cancer via Diminishing the Inflammatory Response and Oxidative Stress on Male Wistar Rats Save