Chemical space of Escherichia coli dihydrofolate reductase inhibitors: New approaches for discovering novel drugs for old bugs B Srinivasan*, S Tonddast‐Navaei, A Roy §, H Zhou, J Skolnick Medicinal research reviews 39 (2), 684-705, 2019 | 41 | 2019 |
Are protein-protein interfaces special regions on a protein’s surface? S Tonddast-Navaei, J Skolnick The Journal of chemical physics 143 (24), 2015 | 32 | 2015 |
FcαRI binding at the IgA1 CH2–CH3 interface induces long-range conformational changes that are transmitted to the hinge region MT Posgai, S Tonddast-Navaei, M Jayasinghe, GM Ibrahim, G Stan, ... Proceedings of the National Academy of Sciences 115 (38), E8882-E8891, 2018 | 30 | 2018 |
Mechanism of transient binding and release of substrate protein during the allosteric cycle of the p97 nanomachine S Tonddast-Navaei, G Stan Journal of the American Chemical Society 135 (39), 14627-14636, 2013 | 29 | 2013 |
Ligand binding studies, preliminary structure–activity relationship and detailed mechanistic characterization of 1-phenyl-6, 6-dimethyl-1, 3, 5-triazine-2, 4-diamine … B Srinivasan, S Tonddast-Navaei, J Skolnick European journal of medicinal chemistry 103, 600-614, 2015 | 26 | 2015 |
Rational Design of Novel Allosteric Dihydrofolate Reductase Inhibitors Showing Antibacterial Effects on Drug-Resistant Escherichia coli Escape Variants B Srinivasan, JV Rodrigues, S Tonddast-Navaei, E Shakhnovich, ... ACS Chemical Biology 12 (7), 1848-1857, 2017 | 22 | 2017 |
Asymmetric processing of a substrate protein in sequential allosteric cycles of AAA+ nanomachines AN Kravats, S Tonddast-Navaei, RJ Bucher, G Stan The Journal of Chemical Physics 139 (12), 2013 | 21 | 2013 |
Coarse-grained simulations of topology-dependent mechanisms of protein unfolding and translocation mediated by ClpY ATPase nanomachines AN Kravats, S Tonddast-Navaei, G Stan PLoS computational biology 12 (1), e1004675, 2016 | 15 | 2016 |
On the importance of composite protein multiple ligand interactions in protein pockets S Tonddast‐Navaei, B Srinivasan, J Skolnick Journal of computational chemistry 38 (15), 1252-1259, 2017 | 11 | 2017 |
Correction to Rational Design of Novel Allosteric Dihydrofolate Reductase Inhibitors Showing Antibacterial Effects on Drug-Resistant Escherichia coli Escape … B Srinivasan, JV Rodrigues, S Tonddast-Navaei, E Shakhnovich, ... ACS Chemical Biology 13 (5), 1407-1407, 2018 | 5 | 2018 |
Pocket detection and interaction-weighted ligand-similarity search yields novel high-affinity binders for Myocilin-OLF, a protein implicated in glaucoma B Srinivasan, S Tonddast-Navaei, J Skolnick Bioorganic & medicinal chemistry letters 27 (17), 4133-4139, 2017 | 3 | 2017 |
Mechanism of Substrate Protein Remodeling by Allosteric Motions of AAA+ Nanomachines S Tonddast-Navaei University of Cincinnati, 2013 | 1 | 2013 |
Multiscale Modeling of Protein Unfolding and Translocation by AAA+ Chaperones in the Degradation Pathway AN Kravats, S Tonddast-Navaei, A Javidialesaadi, G Stan Biophysical Journal 112 (3), 491a, 2017 | | 2017 |
Computational Modeling of the FcαRI Receptor Binding in the Fcα Domain of the Human Antibody IgA: Corse-Grained Molecular Dynamics (MD) Methods M Jayasinghe, MT Posgai, S Tonddast-Navaei, GM Ibrahim, G Stan, ... Biophysical Journal 108 (2), 378a, 2015 | | 2015 |
Computational modeling of the Fc αRI receptor binding in the Fc α domain of the human antibody IgA: Normal Modes Analysis (NMA) study M Jayasinghe, M Posgai, S Tonddast-Navaei, G Ibrahim, G Stan, A Herr, ... APS March Meeting Abstracts 2014, C1. 333, 2014 | | 2014 |
Computational studies of protein unfolding and translocation mediated by ATP-driven AAA plus biological nanomachines G Stan, A Kravats, S Tonddast-Navaei, M Jayasinghe ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
The Role of Central Pore Residues of p 97/VCP on Substrate Unfolding and Translocation: A Computational Model S Tonddast-Navaei, G Stan Journal of Biomolecular Structure and Dynamics 28 (6), 1020-1021, 2011 | | 2011 |