Deciphering interaction fingerprints from protein molecular surfaces using geometric deep learning P Gainza, F Sverrisson, F Monti, E Rodola, D Boscaini, MM Bronstein, ... Nature Methods 17 (2), 184-192, 2020 | 339 | 2020 |
OSPREY: protein design with ensembles, flexibility, and provable algorithms P Gainza*, KE Roberts*, I Georgiev, RH Lilien, DA Keedy, CY Chen, ... Methods in enzymology 523, 87-107, 2013 | 135 | 2013 |
Protein design using continuous rotamers P Gainza*, KE Roberts*, BR Donald PLoS Comput Biol 8 (1), e1002335, 2012 | 109 | 2012 |
Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning DM Mason, S Friedensohn, CR Weber, C Jordi, B Wagner, SM Meng, ... Nature Biomedical Engineering 5 (6), 600-612, 2021 | 86 | 2021 |
A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy G Giordano-Attianese*, P Gainza*, E Gray-Gaillard*, E Cribioli, S Shui, ... Nature Biotechnology 38 (4), 426-432, 2020 | 81 | 2020 |
Algorithms for protein design P Gainza, HM Nisonoff, BR Donald Current opinion in structural biology 39, 16-26, 2016 | 69 | 2016 |
Protein design algorithms predict viable resistance to an experimental antifolate SM Reeve*, P Gainza*, KM Frey, I Georgiev, BR Donald, AC Anderson Proceedings of the National Academy of Sciences 112 (3), 749-754, 2015 | 48 | 2015 |
Deep learning enables therapeutic antibody optimization in mammalian cells by deciphering high-dimensional protein sequence space DM Mason, S Friedensohn, CR Weber, C Jordi, B Wagner, S Meng, ... BioRxiv, 617860, 2019 | 45 | 2019 |
Osprey 3.0: open‐source protein redesign for you, with powerful new features MA Hallen, JW Martin, A Ojewole, JD Jou, AU Lowegard, MS Frenkel, ... Journal of computational chemistry 39 (30), 2494-2507, 2018 | 45 | 2018 |
Computational protein design—the next generation tool to expand synthetic biology applications P Gainza-Cirauqui, BE Correia Current opinion in biotechnology 52, 145-152, 2018 | 33 | 2018 |
Boosting subdominant neutralizing antibody responses with a computationally designed epitope-focused immunogen F Sesterhenn, M Galloux, SS Vollers, L Csepregi, C Yang, D Descamps, ... PLoS biology 17 (2), e3000164, 2019 | 30 | 2019 |
Compact representation of continuous energy surfaces for more efficient protein design MA Hallen, P Gainza, BR Donald Journal of chemical theory and computation 11 (5), 2292-2306, 2015 | 24 | 2015 |
Fast gap‐free enumeration of conformations and sequences for protein design KE Roberts*, P Gainza*, MA Hallen, BR Donald Proteins: Structure, Function, and Bioinformatics 83 (10), 1859-1877, 2015 | 19 | 2015 |
A rational blueprint for the design of chemically-controlled protein switches S Shui, P Gainza, L Scheller, C Yang, Y Kurumida, S Georgeon, S Rosset, ... Nature Communications 12, 5754, 2021 | 16 | 2021 |
OSPREY predicts resistance mutations using positive and negative computational protein design A Ojewole, A Lowegard, P Gainza, SM Reeve, I Georgiev, AC Anderson, ... Computational Protein Design, 291-306, 2017 | 16 | 2017 |
OSPREY (Open Source Protein Redesign for You) user manual I Georgiev, KE Roberts, P Gainza, MA Hallen, BR Donald | 8 | 2009 |
De novo design of site-specific protein interactions with learned surface fingerprints P Gainza*, S Wehrle*, A Van Hall-Beauvais*, A Marchand*, A Scheck*, ... bioRxiv, 2022 | 4 | 2022 |
Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus S Wang, SM Reeve, GT Holt, AA Ojewole, MS Frenkel, P Gainza, ... PLoS Computational Biology 18 (2), e1009855, 2022 | 3 | 2022 |
Computational Protein Design with Ensembles, Flexibility and Mathematical Guarantees, and its Application to Drug Resistance Prediction, and Antibody Design P Gainza Cirauqui | 1 | 2015 |
Rational design of chemically controlled antibodies and protein therapeutics A Marchand, L Bonati, S Shui, L Scheller, P Gainza, S Rosset, ... bioRxiv, 2022.12. 22.521584, 2022 | | 2022 |