| ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules A Leaver-Fay, M Tyka, SM Lewis, OF Lange, J Thompson, R Jacak, ... Methods in enzymology 487, 545-574, 2011 | 2059 | 2011 |
| The Rosetta all-atom energy function for macromolecular modeling and design RF Alford, A Leaver-Fay, JR Jeliazkov, MJ O’Meara, FP DiMaio, H Park, ... Journal of chemical theory and computation 13 (6), 3031-3048, 2017 | 1482 | 2017 |
| Structure-based protein function prediction using graph convolutional networks V Gligorijević, PD Renfrew, T Kosciolek, JK Leman, D Berenberg, ... Nature communications 12 (1), 3168, 2021 | 758 | 2021 |
| Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 725 | 2020 |
| Serverification of molecular modeling applications: the Rosetta Online Server that Includes Everyone (ROSIE) S Lyskov, FC Chou, SO Conchuir, BS Der, K Drew, D Kuroda, J Xu, ... PloS one 8 (5), e63906, 2013 | 450 | 2013 |
| A preliminary survey of the peptoid folding landscape GL Butterfoss, PD Renfrew, B Kuhlman, K Kirshenbaum, R Bonneau Journal of the American Chemical Society 131 (46), 16798-16807, 2009 | 156 | 2009 |
| Incorporation of noncanonical amino acids into Rosetta and use in computational protein-peptide interface design PD Renfrew, EJ Choi, R Bonneau, B Kuhlman PLoS One 7 (3), e32637, 2012 | 139 | 2012 |
| Engineered coiled-coil protein microfibers J Hume, J Sun, R Jacquet, PD Renfrew, JA Martin, R Bonneau, ... Biomacromolecules 15 (10), 3503-3510, 2014 | 84 | 2014 |
| Adding diverse noncanonical backbones to rosetta: enabling peptidomimetic design K Drew, PD Renfrew, TW Craven, GL Butterfoss, FC Chou, S Lyskov, ... PLoS One 8 (7), e67051, 2013 | 79 | 2013 |
| Peptoid atropisomers B Paul, GL Butterfoss, MG Boswell, PD Renfrew, FG Yeung, NH Shah, ... Journal of the American Chemical Society 133 (28), 10910-10919, 2011 | 74 | 2011 |
| Thermoresponsive protein-engineered coiled-coil hydrogel for sustained small molecule release LK Hill, M Meleties, P Katyal, X Xie, E Delgado-Fukushima, T Jihad, ... Biomacromolecules 20 (9), 3340-3351, 2019 | 71 | 2019 |
| A rotamer library to enable modeling and design of peptoid foldamers PD Renfrew, TW Craven, GL Butterfoss, K Kirshenbaum, R Bonneau Journal of the American Chemical Society 136 (24), 8772-8782, 2014 | 65 | 2014 |
| Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1 VK Mulligan, S Workman, T Sun, S Rettie, X Li, LJ Worrall, TW Craven, ... Proceedings of the National Academy of Sciences 118 (12), e2012800118, 2021 | 58 | 2021 |
| Designing peptides on a quantum computer VK Mulligan, H Melo, HI Merritt, S Slocum, BD Weitzner, AM Watkins, ... BioRxiv, 752485, 2019 | 58 | 2019 |
| Sequence-structure-function relationships in the microbial protein universe J Koehler Leman, P Szczerbiak, PD Renfrew, V Gligorijevic, D Berenberg, ... Nature communications 14 (1), 2351, 2023 | 50 | 2023 |
| Oligo(N‐alkoxy glycines): Trans substantiating peptoid conformations PA Jordan, B Paul, GL Butterfoss, PD Renfrew, R Bonneau, ... Peptide Science 96 (5), 617-626, 2011 | 39 | 2011 |
| Better together: Elements of successful scientific software development in a distributed collaborative community J Koehler Leman, BD Weitzner, PD Renfrew, SM Lewis, R Moretti, ... PLoS computational biology 16 (5), e1007507, 2020 | 37 | 2020 |
| Using quantum mechanics to improve estimates of amino acid side chain rotamer energies PD Renfrew, GL Butterfoss, B Kuhlman Proteins: Structure, Function, and Bioinformatics 71 (4), 1637-1646, 2008 | 32 | 2008 |
| Structure-based protein function prediction using graph convolutional networks. Nat Commun 12: 3168 V Gligorijevic, PD Renfrew, T Kosciolek, JK Leman, D Berenberg, ... | 28 | 2021 |
| Improved stability and half‐life of fluorinated phosphotriesterase using Rosetta CY Yang, PD Renfrew, AJ Olsen, M Zhang, C Yuvienco, R Bonneau, ... ChemBioChem 15 (12), 1761-1764, 2014 | 27 | 2014 |
Jin Kim MontclareNew York University Tandon School of Engineering (NYU-Tandon)Verified email at nyu.edu