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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Journal Article
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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Journal Article
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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Journal Article
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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Journal Article
Computational Characterization of the Binding of Non-Competitive Inhibitors to AMPA Receptors
Narangoda, Chamali, Sakipov, Serzhan, Kurnikova, Maria G.
Published in Biophysical journal (01.02.2019)
Published in Biophysical journal (01.02.2019)
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Journal Article
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) (12.06.2024)
Published in Chemical science (Cambridge) (12.06.2024)
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Journal Article
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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Journal Article
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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Journal Article
Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance
Kurnikova, Maria G., Sakipov, Serzhan, Kottke, Christopher, Narangoda, Chamali, Scaranto, Jessica
Published in Biophysical journal (07.02.2020)
Published in Biophysical journal (07.02.2020)
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Journal Article
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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Journal Article
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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Journal Article
A community effort in SARS‐CoV‐2 drug discovery
Schimunek, Johannes, Noé, Frank, Olsson, Simon, Raich, Lluís, Winter, Robin, Kurnikova, Maria G., Narangoda, Chamali H., Zubatyuk, Roman, Bosko, Ivan P., Furs, Konstantin V., Karpenko, Anna D., Kornoushenko, Yury V., Shuldau, Mikita, Yushkevich, Artsemi, Benabderrahmane, Mohammed B., Bousquet‐Melou, Patrick, Bureau, Ronan, Charton, Beatrice, Cirou, Bertrand C., Gil, Gérard, Allen, William J., Sirimulla, Suman, Antonopoulos, Nick, Epitropakis, Nikolaos, Krasoulis, Agamemnon, Theodorakis, Stavros, Medvedev, Alexander, Popov, Petr, Zaretckii, Mark, Halmich, Christina, Hochreiter, Sepp, Widrich, Michael, Kumar, Ashutosh, Jain, Moksh J., Korablyov, Maksym, Liu, Cheng‐Hao, Glaab, Enrico, Kaiser, Florian, Schroeder, Michael, Pugliese, Luisa, Athanasiou, Christina, Beccari, Andrea, Carloni, Paolo, Gianquinto, Eleonora, Goßen, Jonas, Joseph, Benjamin P., Kokh, Daria B., Kovachka, Sandra, Manelfi, Candida, Musiani, Francesco, Paiardi, Giulia, Rossetti, Giulia, Spyrakis, Francesca, Tsengenes, Alexandros, Copeland, Conner, Gaiser, Jeremiah, Roy, Amitava, Venkatraman, Vishwesh, Blaschitz, Klara, Cespugli, Marco, Durmaz, Vedat, Fischer, Patrick D., Gorgulla, Christoph, Gruber, Karl, Hetmann, Michael, Kinney, Jamie E., Padmanabha Das, Krishna M., Pandita, Shreya, Singh, Amit, Steinkellner, Georg, Tesseyre, Guilhem, Wagner, Gerhard, Wang, Zi‐Fu, Yust, Ryan J., Druzhilovskiy, Dmitry S., Filimonov, Dmitry A., Pogodin, Pavel V., Poroikov, Vladimir, Rudik, Anastassia V., Stolbov, Leonid A., De Rosa, Maria, De Simone, Giada, Gulotta, Maria R., Perricone, Ugo, Casini, Arturo, Embree, Amanda, Voigt, Christopher A., Chen, Kuang‐Yu, Jacob, Yves, Krischuns, Tim, Lafaye, Pierre, Rodríguez, M. Luis, White, Kris M., Fearon, Daren, Von Delft, Frank, Falsafi, Babak, Ford, Bryan, García‐Sastre, Adolfo, Naffakh, Nadia, Klambauer, Günter
Published in Molecular informatics (01.01.2024)
Published in Molecular informatics (01.01.2024)
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