Opening of glutamate receptor channel to subconductance levels
Yelshanskaya, Maria V, Patel, Dhilon S, Kottke, Christopher M, Kurnikova, Maria G, Sobolevsky, Alexander I
Published in Nature (London) (05.05.2022)
Published in Nature (London) (05.05.2022)
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Structural mechanisms of TRPM7 activation and inhibition
Nadezhdin, Kirill D, Correia, Leonor, Narangoda, Chamali, Patel, Dhilon S, Neuberger, Arthur, Gudermann, Thomas, Kurnikova, Maria G, Chubanov, Vladimir, Sobolevsky, Alexander I
Published in Nature communications (08.05.2023)
Published in Nature communications (08.05.2023)
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Structure and function of the calcium‐selective TRP channel TRPV6
Yelshanskaya, Maria V., Nadezhdin, Kirill D., Kurnikova, Maria G., Sobolevsky, Alexander I.
Published in The Journal of physiology (01.05.2021)
Published in The Journal of physiology (01.05.2021)
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Epoxidation Catalyzed by the Nonheme Iron(II)- and 2‑Oxoglutarate-Dependent Oxygenase, AsqJ: Mechanistic Elucidation of Oxygen Atom Transfer by a Ferryl Intermediate
Li, Jikun, Liao, Hsuan-Jen, Tang, Yijie, Huang, Jhih-Liang, Cha, Lide, Lin, Te-Sheng, Lee, Justin L, Kurnikov, Igor V, Kurnikova, Maria G, Chang, Wei-chen, Chan, Nei-Li, Guo, Yisong
Published in Journal of the American Chemical Society (01.04.2020)
Published in Journal of the American Chemical Society (01.04.2020)
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All atom NMDA receptor transmembrane domain model development and simulations in lipid bilayers and water
Mesbahi-Vasey, Samaneh, Veras, Lea, Yonkunas, Michael, Johnson, Jon W, Kurnikova, Maria G
Published in PloS one (05.06.2017)
Published in PloS one (05.06.2017)
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Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6
Sakipov, Serzhan, Sobolevsky, Alexander I, Kurnikova, Maria G
Published in Scientific reports (09.04.2018)
Published in Scientific reports (09.04.2018)
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Inhibition of NMDA receptors through a membrane-to-channel path
Wilcox, Madeleine R, Nigam, Aparna, Glasgow, Nathan G, Narangoda, Chamali, Phillips, Matthew B, Patel, Dhilon S, Mesbahi-Vasey, Samaneh, Turcu, Andreea L, Vázquez, Santiago, Kurnikova, Maria G, Johnson, Jon W
Published in Nature communications (15.07.2022)
Published in Nature communications (15.07.2022)
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Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs
Yelshanskaya, Maria V., Singh, Appu K., Sampson, Jared M., Narangoda, Chamali, Kurnikova, Maria, Sobolevsky, Alexander I.
Published in Neuron (Cambridge, Mass.) (21.09.2016)
Published in Neuron (Cambridge, Mass.) (21.09.2016)
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In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations
Gutkin, Evgeny, Gusev, Filipp, Gentile, Francesco, Ban, Fuqiang, Koby, S. Benjamin, Narangoda, Chamali, Isayev, Olexandr, Cherkasov, Artem, Kurnikova, Maria G.
Published in Chemical science (Cambridge) (2024)
Published in Chemical science (Cambridge) (2024)
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High-throughput binding free energy simulations: Applications in drug discovery
Koby, S. Benjamin, Gutkin, Evgeny, Gusev, Filipp, Narangoda, Chamali M., Isayev, Olexandr, Kurnikova, Maria G.
Published in Biophysical journal (10.02.2023)
Published in Biophysical journal (10.02.2023)
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Structural mechanism of TRPM7 channel regulation by intracellular magnesium
Schmidt, Eva, Narangoda, Chamali, Nörenberg, Wolfgang, Egawa, Miyuki, Rössig, Anna, Leonhardt, Marion, Schaefer, Michael, Zierler, Susanna, Kurnikova, Maria G., Gudermann, Thomas, Chubanov, Vladimir
Published in Cellular and molecular life sciences : CMLS (01.05.2022)
Published in Cellular and molecular life sciences : CMLS (01.05.2022)
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Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions
Illarionov, Alexey, Sakipov, Serzhan, Pereyaslavets, Leonid, Kurnikov, Igor V., Kamath, Ganesh, Butin, Oleg, Voronina, Ekaterina, Ivahnenko, Ilya, Leontyev, Igor, Nawrocki, Grzegorz, Darkhovskiy, Mikhail, Olevanov, Michael, Cherniavskyi, Yevhen K., Lock, Christopher, Greenslade, Sean, Sankaranarayanan, Subramanian KRS, Kurnikova, Maria G., Potoff, Jeffrey, Kornberg, Roger D., Levitt, Michael, Fain, Boris
Published in Journal of the American Chemical Society (01.11.2023)
Published in Journal of the American Chemical Society (01.11.2023)
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Role of the Ion Channel Extracellular Collar in AMPA Receptor Gating
Yelshanskaya, Maria V, Mesbahi-Vasey, Samaneh, Kurnikova, Maria G, Sobolevsky, Alexander I
Published in Scientific reports (21.04.2017)
Published in Scientific reports (21.04.2017)
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Accurate determination of solvation free energies of neutral organic compounds from first principles
Pereyaslavets, Leonid, Kamath, Ganesh, Butin, Oleg, Illarionov, Alexey, Olevanov, Michael, Kurnikov, Igor, Sakipov, Serzhan, Leontyev, Igor, Voronina, Ekaterina, Gannon, Tyler, Nawrocki, Grzegorz, Darkhovskiy, Mikhail, Ivahnenko, Ilya, Kostikov, Alexander, Scaranto, Jessica, Kurnikova, Maria G, Banik, Suvo, Chan, Henry, Sternberg, Michael G, Sankaranarayanan, Subramanian K R S, Crawford, Brad, Potoff, Jeffrey, Levitt, Michael, Kornberg, Roger D, Fain, Boris
Published in Nature communications (20.01.2022)
Published in Nature communications (20.01.2022)
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Design, synthesis, and in vitro and in vivo characterization of new memantine analogs for Alzheimer's disease
Turcu, Andreea L., Companys-Alemany, Júlia, Phillips, Matthew B., Patel, Dhilon S., Griñán-Ferré, Christian, Loza, M. Isabel, Brea, José M., Pérez, Belén, Soto, David, Sureda, Francesc X., Kurnikova, Maria G., Johnson, Jon W., Pallàs, Mercè, Vázquez, Santiago
Published in European journal of medicinal chemistry (05.06.2022)
Published in European journal of medicinal chemistry (05.06.2022)
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Kainate receptor channel opening and gating mechanism
Gangwar, Shanti Pal, Yelshanskaya, Maria V, Nadezhdin, Kirill D, Yen, Laura Y, Newton, Thomas P, Aktolun, Muhammed, Kurnikova, Maria G, Sobolevsky, Alexander I
Published in Nature (London) (20.06.2024)
Published in Nature (London) (20.06.2024)
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AMPA Receptor Noncompetitive Inhibitors Occupy a Promiscuous Binding Site
Narangoda, Chamali, Sakipov, Serzhan N, Kurnikova, Maria G
Published in ACS chemical neuroscience (20.11.2019)
Published in ACS chemical neuroscience (20.11.2019)
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Structural basis of AMPA receptor inhibition by trans‐4‐butylcyclohexane carboxylic acid
Yelshanskaya, Maria V., Singh, Appu K., Narangoda, Chamali, Williams, Robin S.B., Kurnikova, Maria G., Sobolevsky, Alexander I.
Published in British journal of pharmacology (01.07.2022)
Published in British journal of pharmacology (01.07.2022)
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