| Molecular dynamics-driven drug discovery: leaping forward with confidence A Ganesan, ML Coote, K Barakat Drug discovery today 22 (2), 249-269, 2017 | 375 | 2017 |
| Cardiac late sodium channel current is a molecular target for the sodium/glucose cotransporter 2 inhibitor empagliflozin K Philippaert, S Kalyaanamoorthy, M Fatehi, W Long, S Soni, NJ Byrne, ... Circulation 143 (22), 2188-2204, 2021 | 177 | 2021 |
| Discovery and characterization of the laulimalide-microtubule binding mode by mass shift perturbation mapping MJ Bennett, K Barakat, JT Huzil, J Tuszynski, DC Schriemer Chemistry & biology 17 (7), 725-734, 2010 | 147 | 2010 |
| Development of safe drugs: the hERG challenge S Kalyaanamoorthy, KH Barakat Medicinal research reviews 38 (2), 525-555, 2018 | 143 | 2018 |
| Comprehensive in vitro characterization of PD-L1 small molecule inhibitors A Ganesan, M Ahmed, I Okoye, E Arutyunova, D Babu, WL Turnbull, ... Scientific reports 9 (1), 12392, 2019 | 134 | 2019 |
| IL-28B is a key regulator of B-and T-cell vaccine responses against influenza A Egli, DM Santer, D O'Shea, K Barakat, M Syedbasha, M Vollmer, ... PLoS pathogens 10 (12), e1004556, 2014 | 118 | 2014 |
| Computational predictions of volatile anesthetic interactions with the microtubule cytoskeleton: Implications for side effects of general anesthesia TJA Craddock, M St. George, H Freedman, KH Barakat, S Damaraju, ... PLoS One 7 (6), e37251, 2012 | 114 | 2012 |
| Coinhibitory Receptor Expression and Immune Checkpoint Blockade: Maintaining a Balance in CD8+ T Cell Responses to Chronic Viral Infections and Cancer IS Okoye, M Houghton, L Tyrrell, K Barakat, S Elahi Frontiers in immunology 8, 1215, 2017 | 113 | 2017 |
| Small molecule inhibitors of ERCC1-XPF protein-protein interaction synergize alkylating agents in cancer cells LP Jordheim, KH Barakat, L Heinrich-Balard, EL Matera, E Cros-Perrial, ... Molecular pharmacology 84 (1), 12-24, 2013 | 106 | 2013 |
| Immunomodulatory function of interleukin 28B during primary infection with cytomegalovirus A Egli, A Levin, DM Santer, M Joyce, D O'Shea, BS Thomas, LF Lisboa, ... The Journal of infectious diseases 210 (5), 717-727, 2014 | 92 | 2014 |
| DNA polymerase beta (pol β) inhibitors: A comprehensive overview KH Barakat, MM Gajewski, JA Tuszynski Drug discovery today 17 (15-16), 913-920, 2012 | 81 | 2012 |
| Ensemble-based virtual screening reveals dual-inhibitors for the p53–MDM2/MDMX interactions K Barakat, J Mane, D Friesen, J Tuszynski Journal of Molecular Graphics and Modelling 28 (6), 555-568, 2010 | 80 | 2010 |
| Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction KH Barakat, LP Jordheim, R Perez-Pineiro, D Wishart, C Dumontet, ... PLoS One 7 (12), e51329, 2012 | 79 | 2012 |
| Targeting B7‐1 in immunotherapy R Chen, A Ganesan, I Okoye, E Arutyunova, S Elahi, MJ Lemieux, ... Medicinal research reviews 40 (2), 654-682, 2020 | 57 | 2020 |
| Human PD-1 binds differently to its human ligands: a comprehensive modeling study C Viricel, M Ahmed, K Barakat Journal of Molecular Graphics and Modelling 57, 131-142, 2015 | 55 | 2015 |
| A refined model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypes KH Barakat, A Anwar-Mohamed, JA Tuszynski, MJ Robins, DL Tyrrell, ... Journal of chemical information and modeling 55 (2), 362-373, 2015 | 55 | 2015 |
| DNA repair inhibitors: the next major step to improve cancer therapy K Barakat, M Gajewski, J a Tuszynski Current topics in medicinal chemistry 12 (12), 1376-1390, 2012 | 55 | 2012 |
| Effects of temperature on the p53-DNA binding interactions and their dynamical behavior: comparing the wild type to the R248Q mutant K Barakat, BB Issack, M Stepanova, J Tuszynski PloS one 6 (11), e27651, 2011 | 53 | 2011 |
| A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity A Anwar-Mohamed, KH Barakat, R Bhat, SY Noskov, DL Tyrrell, ... Toxicology letters 230 (3), 382-392, 2014 | 52 | 2014 |
| Computer-aided drug design PV Bharatam Drug discovery and development: From targets and molecules to medicines, 137-210, 2021 | 51 | 2021 |
Jack TuszyńskiPolitecnico di TorinoZweryfikowany adres z polito.it