Maria G Kurnikova, Ph.D.

Affiliations: 
2003- chemistry Carnegie Mellon University, Pittsburgh, PA 
Area:
computational chemistry and biochemistry, structural biophysics, structure-function relationaships in proteins, AMPA, NMDA, ion channels
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"Maria Kurnikova"
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Parents

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Rob D. Coalson grad student 1993-1998 University of Pittsburgh (Astronomy Tree)
Abraham Nitzan post-doc 1998-2000 Penn (Chemistry Tree)
David N. Beratan post-doc 2000-2001 Duke

Children

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Nikolay Simakov grad student 2004-2010 Carnegie Mellon
Serzhan Sakipov grad student 2013-2018 Carnegie Mellon (Astronomy Tree)

Collaborators

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Alexander Sobolevsky collaborator Columbia (Chemistry Tree)
Meera Sitharam collaborator 2008- UF Gainesville (Computer Science Tree)
Jon W. Johnson collaborator 2010- University of Pittsburgh (Neurotree)
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Publications

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Gangwar SP, Yelshanskaya MV, Aktolun M, et al. (2024) Trapping of spermine, Kukoamine A, and polyamine toxin blockers in GluK2 kainate receptor channels. Nature Communications. 15: 10257
Li F, Ackloo S, Arrowsmith CH, et al. (2024) CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein. Journal of Chemical Information and Modeling
Xue S, Tang Y, Kurnikov IV, et al. (2024) Spectroscopic and computational studies of a bifunctional iron- and 2-oxoglutarate dependent enzyme, AsqJ. Methods in Enzymology. 704: 199-232
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
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