| 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 | 1247 | 2017 |
| 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, 1-14, 2020 | 563 | 2020 |
| A comprehensive, high-resolution map of a gene’s fitness landscape E Firnberg, JW Labonte, JJ Gray, M Ostermeier Molecular biology and evolution 31 (6), 1581-1592, 2014 | 331 | 2014 |
| Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization JM Crawford, TP Korman, JW Labonte, AL Vagstad, EA Hill, ... Nature 461 (7267), 1139-1143, 2009 | 204 | 2009 |
| Structure and function of an iterative polyketide synthase thioesterase domain catalyzing Claisen cyclization in aflatoxin biosynthesis TP Korman, JM Crawford, JW Labonte, AG Newman, J Wong, ... Proceedings of the National Academy of Sciences 107 (14), 6246-6251, 2010 | 121 | 2010 |
| Structural diversity in the type IV pili of multidrug-resistant Acinetobacter KH Piepenbrink, E Lillehoj, CM Harding, JW Labonte, X Zuo, CA Rapp, ... Journal of Biological Chemistry 291 (44), 22924–22935, 2016 | 77 | 2016 |
| 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 | 73 | 2013 |
| Characterization of a fungal thioesterase having Claisen cyclase and deacetylase activities in melanin biosynthesis AL Vagstad, EA Hill, JW Labonte, CA Townsend Chemistry & biology 19 (12), 1525-1534, 2012 | 53 | 2012 |
| Active site comparisons and catalytic mechanisms of the hot dog superfamily JW Labonte, CA Townsend Chem. Rev 113 (3), 2182-2204, 2013 | 48 | 2013 |
| Residue‐centric modeling and design of saccharide and glycoconjugate structures JW Labonte, J Adolf‐Bryfogle, WR Schief, JJ Gray Journal of Computational Chemistry 38 (5), 276–287, 2017 | 45 | 2017 |
| 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, e1007507, 2020 | 32 | 2020 |
| NMR detection and study of hydrolysis of HNO-derived sulfinamides G Keceli, CD Moore, JW Labonte, JP Toscano Biochemistry 52 (42), 7387-7396, 2013 | 28 | 2013 |
| Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20–27 KP Kilambi, MS Pacella, J Xu, JW Labonte, JR Porter, P Muthu, K Drew, ... Proteins: Structure, Function, and Bioinformatics 81 (12), 2201-2209, 2013 | 21 | 2013 |
| Computational design of mixed chirality peptide macrocycles with internal symmetry VK Mulligan, CS Kang, MR Sawaya, S Rettie, X Li, I Antselovich, ... Protein Science 29 (12), 2433-2445, 2020 | 19 | 2020 |
| Development of a Broadly Accessible, Computationally Guided Biochemistry Course-Based Undergraduate Research Experience A Vater, J Mayoral, J Nunez-Castilla, JW Labonte, LA Briggs, JJ Gray, ... Journal of Chemical Education, 2020 | 18 | 2020 |
| Novel Sampling Strategies and a Coarse‐Grained Score Function for Docking Homomers, Flexible Heteromers, and Oligosaccharides Using Rosetta in CAPRI Rounds 37–45. SS Roy Burman, ML Nance, JR Jeliazkov, JW Labonte, JH Lubin, ... Proteins, 1-13, 2019 | 18 | 2019 |
| Glycoengineering of Esterase Activity through Metabolic Flux‐Based Modulation of Sialic Acid MP Mathew, E Tan, JW Labonte, S Shah, CT Saeui, L Liu, R Bhattacharya, ... ChemBioChem 18 (13), 1204-1215, 2017 | 12 | 2017 |
| Molecular determinants for protein stabilization by insertional fusion to a thermophilic host protein B Pierre, JW Labonte, T Xiong, E Aoraha, A Williams, V Shah, E Chau, ... ChemBioChem 16 (16), 2392-2402, 2015 | 12 | 2015 |
| Autoproteolytic activation of ThnT results in structural reorganization necessary for substrate binding and catalysis AR Buller, JW Labonte, MF Freeman, NT Wright, JF Schildbach, ... Journal of molecular biology 422 (4), 508-518, 2012 | 10 | 2012 |
| Engineering the synthetic potential of β-lactam synthetase and the importance of catalytic loop dynamics JW Labonte, F Kudo, MF Freeman, ML Raber, CA Townsend MedChemComm 3 (8), 960-966, 2012 | 5 | 2012 |
Jeffrey J. GrayJohns Hopkins University, Chemical and Biomolecular Engineering / Program in Molecular BiophysicsVerified email at jhu.edu
