Structural bases of noncompetitive inhibition of AMPA-subtype ionotropic glutamate receptors by antiepileptic drugs MV Yelshanskaya, AK Singh, JM Sampson, C Narangoda, M Kurnikova, ... Neuron 91 (6), 1305-1315, 2016 | 128 | 2016 |
Structural mechanisms of TRPM7 activation and inhibition KD Nadezhdin, L Correia, C Narangoda, DS Patel, A Neuberger, ... Nature communications 14 (1), 2639, 2023 | 40 | 2023 |
Inhibition of NMDA receptors through a membrane-to-channel path MR Wilcox, A Nigam, NG Glasgow, C Narangoda, MB Phillips, DS Patel, ... Nature Communications 13 (1), 4114, 2022 | 24 | 2022 |
Structural mechanism of TRPM7 channel regulation by intracellular magnesium E Schmidt, C Narangoda, W Nörenberg, M Egawa, A Rössig, ... Cellular and Molecular Life Sciences 79 (5), 225, 2022 | 24 | 2022 |
Structural basis of AMPA receptor inhibition by trans‐4‐butylcyclohexane carboxylic acid MV Yelshanskaya, AK Singh, C Narangoda, RSB Williams, MG Kurnikova, ... British journal of pharmacology 179 (14), 3628-3644, 2022 | 19 | 2022 |
AMPA receptor noncompetitive inhibitors occupy a promiscuous binding site C Narangoda, SN Sakipov, MG Kurnikova ACS Chemical Neuroscience 10 (11), 4511-4521, 2019 | 18 | 2019 |
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations E Gutkin, F Gusev, F Gentile, F Ban, SB Koby, C Narangoda, O Isayev, ... Chemical Science 15 (23), 8800-8812, 2024 | 11 | 2024 |
A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics 43 (1), e202300262, 2024 | 8 | 2024 |
CACHE Challenge# 1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein F Li, S Ackloo, CH Arrowsmith, F Ban, CJ Barden, H Beck, J Beránek, ... Journal of Chemical Information and Modeling 64 (22), 8521-8536, 2024 | 6 | 2024 |
High-throughput binding free energy simulations: Applications in drug discovery SB Koby, E Gutkin, F Gusev, CM Narangoda, O Isayev, MG Kurnikova Biophysical Journal 122 (3), 142a-143a, 2023 | 1 | 2023 |
A Computational study of AMPA receptor complexes: Non-competitive inhibition and interaction with CKAMP44 C Narangoda Carnegie Mellon University, 2019 | 1 | 2019 |
Computing Ligand Binding Free Energy in a Large Flexible Pocket of a Large Protein E Gutkin, C Narangoda, M Kurnikova | | 2024 |
A community effort to discover small molecule SARS-CoV-2 inhibitors J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... American Chemical Society (ACS), 2023 | | 2023 |
Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance MG Kurnikova, S Sakipov, C Kottke, C Narangoda, J Scaranto Biophysical Journal 118 (3), 581a, 2020 | | 2020 |
Computational Characterization of the Binding of Non-Competitive Inhibitors to AMPA Receptors C Narangoda, S Sakipov, MG Kurnikova Biophysical Journal 116 (3), 106a-107a, 2019 | | 2019 |
Integration of Deep Docking into Virtual Screening Workflow. The CACHE-1 Study Case A Cherkasov, E Gutkin, F Gusev, F Gentile, F Ban, SB Koby, C Narangoda, ... | | |