| The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA J Cubuk, JJ Alston, JJ Incicco, S Singh, MD Stuchell-Brereton, MD Ward, ... Nature communications 12 (1), 1-17, 2021 | 543 | 2021 |
| SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... Nature chemistry 13 (7), 651-659, 2021 | 274* | 2021 |
| SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential N Vithani, MD Ward, MI Zimmerman, B Novak, JH Borowsky, S Singh, ... Biophysical Journal 120 (14), 2880-2889, 2021 | 80 | 2021 |
| Discovery of a cryptic allosteric site in Ebola’s ‘undruggable’VP35 protein using simulations and experiments MA Cruz, TE Frederick, S Singh, N Vithani, MI Zimmerman, JR Porter, ... BioRxiv 17, 2020.02. 09.940510, 2020 | 37* | 2020 |
| Crystal structures identify an atypical two-metal-ion mechanism for uridyltransfer in GlmU: its significance to sugar nucleotidyl transferases PKA Jagtap, SK Verma, N Vithani, VS Bais, B Prakash Journal of molecular biology 425 (10), 1745-1759, 2013 | 36 | 2013 |
| Substrate-bound crystal structures reveal features unique to Mycobacterium tuberculosis N-acetyl-glucosamine 1-phosphate uridyltransferase and a catalytic mechanism for acetyl … PKA Jagtap, V Soni, N Vithani, GD Jhingan, VS Bais, VK Nandicoori, ... Journal of Biological Chemistry 287 (47), 39524-39537, 2012 | 33 | 2012 |
| Elucidating the GTP hydrolysis mechanism in FeoB: a hydrophobic amino-acid substituted GTPase N Vithani, S Batra, B Prakash, NN Nair ACS Catalysis 7 (1), 902-906, 2017 | 21 | 2017 |
| Identification and characterization of a hitherto unknown nucleotide-binding domain and an intricate interdomain regulation in HflX-a ribosome binding GTPase N Jain, N Vithani, A Rafay, B Prakash Nucleic Acids Research 41 (20), 9557-9569, 2013 | 17 | 2013 |
| Mechanism of Mg2+-accompanied product release in sugar nucleotidyltransferases N Vithani, PKA Jagtap, SK Verma, R Tripathi, S Awasthi, NN Nair, ... Structure 26 (3), 459-466. e3, 2018 | 13 | 2018 |
| GlmU (N-acetylglucosamine-1-phosphate uridyltransferase) bound to three magnesium ions and ATP at the active site N Vithani, V Bais, B Prakash Acta Crystallographica Section F: Structural Biology Communications 70 (6 …, 2014 | 13 | 2014 |
| Deep generative design of epitope-specific binding proteins by latent conformation optimization RR Eguchi, CA Choe, U Parekh, IS Khalek, MD Ward, N Vithani, ... bioRxiv, 2022.12. 22.521698, 2022 | 9 | 2022 |
| A revised mechanism for (p) ppGpp synthesis by Rel proteins: the critical role of the 2′-OH of GTP PR Patil, N Vithani, V Singh, A Kumar, B Prakash Journal of Biological Chemistry 295 (37), 12851-12867, 2020 | 7 | 2020 |
| A salt-bridge stabilized C-terminal hook is critical for the dimerization of a Bowman Birk inhibitor V Kumar, S Murugeson, N Vithani, B Prakash, LR Gowda Archives of biochemistry and biophysics 566, 15-25, 2015 | 4 | 2015 |
| Mechanism of nucleotidyltransfer reaction and role of Mg2+ ion in sugar nucleotidyltransferases N Vithani, B Prakash, NN Nair Biophysical Journal 119 (3), 619-627, 2020 | 3 | 2020 |
| Stabilization of interdomain closure by a G protein inhibitor TD Todd, N Vithani, S Singh, GR Bowman, KJ Blumer, A Soranno Proceedings of the National Academy of Sciences 121 (36), e2311711121, 2024 | 1 | 2024 |
| G protein activation occurs via a largely universal mechanism N Vithani, TD Todd, S Singh, T Trent, KJ Blumer, GR Bowman The Journal of Physical Chemistry B 128 (15), 3554-3562, 2024 | 1 | 2024 |
| GlmU from Mycobacterium tuberculosis – Structure, Function, and the Role of Metal Ions in Catalysis N Vithani, B Prakash Encyclopedia of Inorganic and Bioinorganic Chemistry, 1-9, 2011 | 1 | 2011 |
| Opening and closing of a cryptic pocket in VP35 toggles it between two different RNA-binding modes UL Mallimadugula, MA Cruz, N Vithani, MI Zimmerman, GR Bowman bioRxiv: the preprint server for biology, 2024 | | 2024 |
| The probability of cryptic pocket opening controls functional tradeoffs in filovirus immune evasion UL Mallimadugula, MA Cruz, N Vithani, MI Zimmerman, GR Bowman bioRxiv, 2024 | | 2024 |
| Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS G12D N Vithani, S Zhang, JP Thompson, LA Patel, A Demidov, J Xia, A Balaeff, ... Journal of Chemical Information and Modeling, 2024 | | 2024 |
Gregory R. BowmanProfessor, University of PennsylvaniaAdresse e-mail validée de seas.upenn.edu