ProDy: Protein Dynamics Inferred from Theory and Experiments A Bakan, LM Meireles, I Bahar Bioinformatics 27 (11), 1575-1577, 2011 | 1056 | 2011 |
Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins I Bahar, TR Lezon, A Bakan, IH Shrivastava Chemical reviews 110 (3), 1463-1497, 2010 | 566 | 2010 |
The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding A Bakan, I Bahar Proceedings of the National Academy of Sciences 106 (34), 14349-14354, 2009 | 305 | 2009 |
Zebrafish chemical screening reveals an inhibitor of Dusp6 that expands cardiac cell lineages G Molina, A Vogt, A Bakan, W Dai, PQ De Oliveira, W Znosko, ... Nature chemical biology 5 (9), 680-687, 2009 | 284 | 2009 |
Evol and ProDy for bridging protein sequence evolution and structural dynamics A Bakan, A Dutta, W Mao, Y Liu, C Chennubhotla, TR Lezon, I Bahar Bioinformatics 30 (18), 2681-2683, 2014 | 210 | 2014 |
In vitro platforms for evaluating liver toxicity SS Bale, L Vernetti, N Senutovitch, R Jindal, M Hegde, A Gough, ... Experimental biology and medicine 239 (9), 1180-1191, 2014 | 193 | 2014 |
Druggability assessment of allosteric proteins by dynamics simulations in the presence of probe molecules A Bakan, N Nevins, AS Lakdawala, I Bahar Journal of chemical theory and computation 8 (7), 2435-2447, 2012 | 166 | 2012 |
Pre‐existing soft modes of motion uniquely defined by native contact topology facilitate ligand binding to proteins L Meireles, M Gur, A Bakan, I Bahar Protein Science 20 (10), 1645-1658, 2011 | 103 | 2011 |
Towards a three-dimensional microfluidic liver platform for predicting drug efficacy and toxicity in humans A Bhushan, N Senutovitch, SS Bale, WJ McCarty, M Hegde, R Jindal, ... Stem cell research & therapy 4, 1-6, 2013 | 79 | 2013 |
Development of small-molecule PUMA inhibitors for mitigating radiation-induced cell death G Mustata, M Li, N Zevola, A Bakan, L Zhang, M Epperly, J S Greenberger, ... Current topics in medicinal chemistry 11 (3), 281-290, 2011 | 67 | 2011 |
In vivo structure–activity relationship studies support allosteric targeting of a dual specificity phosphatase VN Korotchenko, M Saydmohammed, LL Vollmer, A Bakan, K Sheetz, ... Chembiochem 15 (10), 1436-1445, 2014 | 64 | 2014 |
Designing inhibitors of cytochrome c/cardiolipin peroxidase complexes: mitochondria-targeted imidazole-substituted fatty acids J Jiang, A Bakan, AA Kapralov, KI Silva, Z Huang, AA Amoscato, ... Free Radical Biology and Medicine 71, 221-230, 2014 | 62 | 2014 |
Coupling between catalytic loop motions and enzyme global dynamics Z Kurkcuoglu, A Bakan, D Kocaman, I Bahar, P Doruker Public Library of Science 8 (9), e1002705, 2012 | 55 | 2012 |
Synthesis and biological evaluation of 3-aminoisoquinolin-1 (2H)-one based inhibitors of the dual-specificity phosphatase Cdc25B KMG Rosenker, WD Paquette, PA Johnston, ER Sharlow, A Vogt, ... Bioorganic & medicinal chemistry 23 (12), 2810-2818, 2015 | 45 | 2015 |
Toward a molecular understanding of the interaction of dual specificity phosphatases with substrates: insights from structure-based modeling and high throughput screening A Bakan, JS Lazo, P Wipf, KM Brummond, I Bahar Current medicinal chemistry 15 (25), 2536-2544, 2008 | 44 | 2008 |
Computational generation inhibitor-bound conformers of p38 map kinase and comparison with experiments A Bakan, I Bahar Biocomputing 2011, 181-192, 2011 | 33 | 2011 |
Structurally unique inhibitors of human mitogen-activated protein kinase phosphatase-1 identified in a pyrrole carboxamide library JS Lazo, JJ Skoko, S Werner, B Mitasev, A Bakan, F Koizumi, ... Journal of Pharmacology and Experimental Therapeutics 322 (3), 940-947, 2007 | 28 | 2007 |
Inhibition of peroxidase activity of cytochrome c: de novo compound discovery and validation A Bakan, AA Kapralov, H Bayir, F Hu, VE Kagan, I Bahar Molecular pharmacology 88 (3), 421-427, 2015 | 21 | 2015 |
Investigational inhibitors of PTP4A3 phosphatase as antineoplastic agents ER Sharlow, P Wipf, KE McQueeney, A Bakan, JS Lazo Expert Opinion on Investigational Drugs 23 (5), 661-673, 2014 | 19 | 2014 |
Sodium-coupled Secondary Transporters E Zomot, A Bakan, IH Shrivastava, J DeChancie, TR Lezon, I Bahar Molecular Machines, 199, 2011 | 6 | 2011 |