| Structure-based methods for binding mode and binding affinity prediction for peptide-MHC complexes DA Antunes, JR Abella, D Devaurs, MM Rigo, LE Kavraki Current topics in medicinal chemistry 18 (26), 2239-2255, 2018 | 60 | 2018 |
| Quantitative comparison of adaptive sampling methods for protein dynamics E Hruska, JR Abella, F Nüske, LE Kavraki, C Clementi The Journal of chemical physics 149 (24), 2018 | 59 | 2018 |
| 50 years of computer simulation of the human thermoregulatory system DW Hensley, AE Mark, JR Abella, GM Netscher, EH Wissler, KR Diller Journal of biomechanical engineering 135 (2), 021006, 2013 | 37 | 2013 |
| APE-gen: A fast method for generating ensembles of bound peptide-MHC conformations JR Abella, DA Antunes, C Clementi, LE Kavraki Molecules 24 (5), 881, 2019 | 31 | 2019 |
| HLA-arena: A customizable environment for the structural modeling and analysis of peptide-HLA complexes for cancer immunotherapy DA Antunes, JR Abella, S Hall-Swan, D Devaurs, A Conev, M Moll, ... JCO clinical cancer informatics 4, 623-636, 2020 | 20 | 2020 |
| Hydration free energy from orthogonal space random walk and polarizable force field JR Abella, SY Cheng, Q Wang, W Yang, P Ren Journal of chemical theory and computation 10 (7), 2792-2801, 2014 | 19 | 2014 |
| Markov state modeling reveals alternative unbinding pathways for peptide–MHC complexes JR Abella, D Antunes, K Jackson, G Lizée, C Clementi, LE Kavraki Proceedings of the National Academy of Sciences 117 (48), 30610-30618, 2020 | 17 | 2020 |
| Large-scale structure-based prediction of stable peptide binding to class I HLAs using random forests JR Abella, DA Antunes, C Clementi, LE Kavraki Frontiers in immunology 11, 531527, 2020 | 16 | 2020 |
| Structural modeling and molecular dynamics of the immune checkpoint molecule HLA-G T Arns, DA Antunes, JR Abella, MM Rigo, LE Kavraki, S Giuliatti, ... Frontiers in immunology 11, 575076, 2020 | 11 | 2020 |
| Native state of complement protein C3d analysed via hydrogen exchange and conformational sampling D Devaurs, M Papanastasiou, DA Antunes, JR Abella, M Moll, D Ricklin, ... International journal of computational biology and drug design 11 (1-2), 90-113, 2018 | 8 | 2018 |
| Vasoplegic shock represents a dominant hemodynamic profile of multisystem inflammatory syndrome following COVID-19 in children and adolescents A Alali, E O’Neil, M Anders, J Abella, LS Shekerdemian, TP Vogel, ... Pediatric Critical Care Medicine 23 (6), e295-e299, 2022 | 7 | 2022 |
| Charge-based interactions through peptide position 4 drive diversity of antigen presentation by human leukocyte antigen class I molecules KR Jackson, DA Antunes, AH Talukder, AR Maleki, K Amagai, A Salmon, ... PNAS nexus 1 (3), pgac124, 2022 | 4 | 2022 |
| Maintaining and enhancing diversity of sampled protein conformations in robotics-inspired methods JR Abella, M Moll, LE Kavraki Journal of Computational Biology 25 (1), 3-20, 2018 | 4 | 2018 |
| Intraoperative utilisation of high-resolution data for cerebral autoregulation: a feasibility study RL Melvin, JR Abella, R Patel, JM Hagood, DE Berkowitz, D Mladinov British Journal of Anaesthesia 128 (3), e217-e219, 2022 | 3 | 2022 |
| Extracorporeal membrane oxygenation support for influenza a: retrospective review of the extracorporeal life support organization registry comparing H1N1 with other subtypes ER O’Neil, H Lin, M Li, L Shekerdemian, JE Tonna, RP Barbaro, ... Critical Care Explorations 3 (12), e0598, 2021 | 1 | 2021 |
| Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems JR Abella Rice University, 2020 | | 2020 |
| Scaling Up Robotics-Inspired Conformational Sampling Algorithms JR Abella Rice University, 2016 | | 2016 |
| Virtual screening of peptide-targets for cancer immunotherapy using HLA-Arena DA Antunes, JR Abella, S Hall-Swan, D Devaurs, A Conev, M Moll, ... | | |
