| Ensemble Docking in Drug Discovery RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, F Noe, ... Biophysical J. 114, 1-8, 2018 | 386 | 2018 |
| Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B K Shi, MA Carpenter, S Banerjee, NM Shaban, K Kurahashi, ... Nature structural & molecular biology 24 (2), 131-139, 2017 | 249 | 2017 |
| Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53 CD Wassman, R Baronio, Ö Demir, BD Wallentine, CK Chen, LV Hall, ... Nature communications 4, 1407, 2013 | 233 | 2013 |
| The local dinucleotide preference of APOBEC3G can be altered from 5′-CC to 5′-TC by a single amino acid substitution A Rathore, MA Carpenter, Ö Demir, T Ikeda, M Li, NM Shaban, EK Law, ... Journal of molecular biology 425 (22), 4442-4454, 2013 | 109 | 2013 |
| Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN NH Moeller, K Shi, Ö Demir, C Belica, S Banerjee, L Yin, C Durfee, ... Proceedings of the National Academy of Sciences 119 (9), e2106379119, 2022 | 106 | 2022 |
| Ensemble-based computational approach discriminates functional activity of p53 cancer and rescue mutants Ö Demir, R Baronio, F Salehi, CD Wassman, L Hall, GW Hatfield, ... PLoS computational biology 7 (10), e1002238, 2011 | 53 | 2011 |
| APOBEC3B Nuclear Localization Requires Two Distinct N-Terminal Domain Surfaces DJ Salamango, JL McCann, Ö Demir, WL Brown, RE Amaro, RS Harris J. Mol. Biol. 430 (17), 2695-2708, 2018 | 51 | 2018 |
| The binding interface between human APOBEC3F and HIV-1 Vif elucidated by genetic and computational approaches C Richards, JS Albin, Ö Demir, NM Shaban, EM Luengas, AM Land, ... Cell reports 13 (9), 1781-1788, 2015 | 45 | 2015 |
| Adapting AlphaLISA high throughput screen to discover a novel small-molecule inhibitor targeting protein arginine methyltransferase 5 in pancreatic and colorectal cancers L Prabhu, H Wei, L Chen, Ö Demir, G Sandusky, E Sun, J Wang, J Mo, ... Oncotarget 8 (25), 39963, 2017 | 43 | 2017 |
| Modulation of catalytic function by differential plasticity of the active site: case study of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase Ö Demir, AE Roitberg Biochemistry 48 (15), 3398, 2009 | 42 | 2009 |
| Development of AlphaLISA high throughput technique to screen for small molecule inhibitors targeting protein arginine methyltransferases L Prabhu, L Chen, H Wei, O Demir, A Safa, LF Zeng, R Amaro, BH O'Neil, ... Molecular Biosystems, 2017 | 36 | 2017 |
| Conformational Switch Regulates the DNA Cytosine Deaminase Activity of Human APOBEC3B K Shi, Ö Demir, MA Carpenter, J Wagner, K Kurahashi, RS Harris, ... Scientific reports 7 (1), 17415, 2017 | 35 | 2017 |
| Full-length p53 tetramer bound to DNA and its quaternary dynamics Ö Demir, PU Ieong, RE Amaro Oncogene 36 (10), 1451-1460, 2017 | 34 | 2017 |
| Markov state models and NMR uncover an overlooked allosteric loop in p53 EP Barros, Ö Demir, J Soto, MJ Cocco, RE Amaro Chemical Science 12 (5), 1891-1900, 2021 | 31 | 2021 |
| An integrated view of p53 dynamics, function, and reactivation Ö Demir, EP Barros, TL Offutt, M Rosenfeld, RE Amaro Current Opinion in Structural Biology 67, 187-194, 2021 | 26 | 2021 |
| Molecular docking to flexible targets J Sørensen, Ö Demir, RV Swift, VA Feher, RE Amaro Molecular Modeling of Proteins, 445-469, 2015 | 25 | 2015 |
| APOBEC3H subcellular localization determinants define zipcode for targeting HIV-1 for restriction DJ Salamango, JT Becker, JL McCann, AZ Cheng, Ö Demir, RE Amaro, ... Molecular and cellular biology 38 (23), e00356-18, 2018 | 23 | 2018 |
| Neolymphostin A is a covalent phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitor that employs an unusual electrophilic vinylogous ester G Castro-Falcón, GS Seiler, O Demir, MK Rathinaswamy, D Hamelin, ... Journal of medicinal chemistry 61 (23), 10463-10472, 2018 | 21 | 2018 |
| The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release TE Bohl, P Ieong, JK Lee, T Lee, J Kankanala, K Shi, Ö Demir, ... J. Biol. Chem., 2018 | 17 | 2018 |
| Computer‐Aided Discovery of Trypanosoma brucei RNA‐Editing Terminal Uridylyl Transferase 2 Inhibitors Ö Demir, M Labaied, C Merritt, K Stuart, RE Amaro Chemical biology & drug design 84 (2), 131-139, 2014 | 15 | 2014 |
Rommie E. AmaroDistinguished Professorship in Theoretical and Computational Chemistry, UC San Diego.Adresse e-mail validée de ucsd.edu
