Maria Kurnikova
Affiliations: | Carnegie Mellon University, Pittsburgh, PA |
Area:
Physical Chemistry, General BiophysicsGoogle:
"Maria Kurnikova"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Rob D. Coalson | grad student | 1998 | University of Pittsburgh (Astronomy Tree) |
Children
Sign in to add trainee| Kirill Speranskiy | grad student | 2007 | Carnegie Mellon |
| Nikolay Simakov | grad student | 2010 | Carnegie Mellon |
| Michael J. Yonkunas | grad student | 2010 | Carnegie Mellon |
BETA: Related publications
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Publications
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| Gutkin E, Gusev F, Gentile F, et al. (2024) screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations. Chemical Science. 15: 8800-8812 |
| Gangwar SP, Yelshanskaya MV, Nadezhdin KD, et al. (2024) Kainate receptor channel opening and gating mechanism. Nature |
| Nadezhdin KD, Correia L, Shalygin A, et al. (2024) Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930. Cell Reports. 43: 114108 |
| Khoreva A, Butov KR, Nikolaeva EI, et al. (2023) Novel hemizygous variant leads to combined immunodeficiency with defective platelet calcium signaling and cell mobility. The Journal of Allergy and Clinical Immunology. Global. 3: 100172 |
| Illarionov A, Sakipov S, Pereyaslavets L, et al. (2023) Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions. Journal of the American Chemical Society. 145: 23620-23629 |
| Schimunek J, Seidl P, Elez K, et al. (2023) A community effort in SARS-CoV-2 drug discovery. Molecular Informatics |
| Nadezhdin KD, Correia L, Narangoda C, et al. (2023) Structural mechanisms of TRPM7 activation and inhibition. Nature Communications. 14: 2639 |
| Chen L, Mamutova A, Kozlova A, et al. (2023) Comparison of disease phenotypes and mechanistic insight on causal variants in patients with DADA2. The Journal of Allergy and Clinical Immunology |
| Gusev F, Gutkin E, Kurnikova MG, et al. (2023) Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling. Journal of Chemical Information and Modeling |
| Nawrocki G, Leontyev I, Sakipov S, et al. (2022) Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field. Journal of Chemical Theory and Computation |