Publications by authors named "Jason W Labonte"

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α-N-Methyltransferase regiospecificity is mediated by proximal, redundant enzyme-substrate interactions.
Kathryn K Crone, Jason W Labonte, Mikael H Elias, Michael F Freeman

Protein Sci· February 2025

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Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design.
Jared Adolf-Bryfogle, Jason W Labonte, John C Kraft, Maxim Shapovalov, Sebastian Raemisch

PLoS Comput Biol· June 2024

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Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design".
Rebecca F Alford, Andrew Leaver-Fay, Jeliazko R Jeliazkov, Matthew J O'Meara, Frank P DiMaio, Jason W Labonte

J Chem Theory Comput· July 2022

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Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks.
Julia Koehler Leman, Sergey Lyskov, Steven M Lewis, Jared Adolf-Bryfogle, Rebecca F Alford, Jason W Labonte

Nat Commun· November 2021

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Shotgun scanning glycomutagenesis: A simple and efficient strategy for constructing and characterizing neoglycoproteins.
Mingji Li, Xiaolu Zheng, Sudhanshu Shanker, Thapakorn Jaroentomeechai, Tyler D Moeller, Jason W Labonte

Proc Natl Acad Sci U S A· September 2021

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Development and Evaluation of GlycanDock: A Protein-Glycoligand Docking Refinement Algorithm in Rosetta.
Morgan L Nance, Jason W Labonte, Jared Adolf-Bryfogle, Jeffrey J Gray

J Phys Chem B· June 2021

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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1.
Vikram Khipple Mulligan, Sean Workman, Tianjun Sun, Stephen Rettie, Xinting Li, Jason W Labonte

Proc Natl Acad Sci U S A· March 2021

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Structural basis for peptide substrate specificities of glycosyltransferase GalNAc-T2.
Sai Pooja Mahajan, Yashes Srinivasan, Jason W Labonte, Matthew P DeLisa, Jeffrey J Gray

ACS Catal· March 2021

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Computational design of mixed chirality peptide macrocycles with internal symmetry.
Vikram Khipple Mulligan, Christine S Kang, Michael R Sawaya, Stephen Rettie, Xinting Li, Jason W Labonte

Protein Sci· December 2020

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Novel sampling strategies and a coarse-grained score function for docking homomers, flexible heteromers, and oligosaccharides using Rosetta in CAPRI rounds 37-45.
Shourya S Roy Burman, Morgan L Nance, Jeliazko R Jeliazkov, Jason W Labonte, Joseph H Lubin

Proteins· August 2020

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Macromolecular modeling and design in Rosetta: recent methods and frameworks.
Julia Koehler Leman, Brian D Weitzner, Steven M Lewis, Jared Adolf-Bryfogle, Nawsad Alam, Jason W Labonte

Nat Methods· July 2020

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Better together: Elements of successful scientific software development in a distributed collaborative community.
Julia Koehler Leman, Brian D Weitzner, P Douglas Renfrew, Steven M Lewis, Rocco Moretti, Jason W Labonte

PLoS Comput Biol· May 2020

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Glycoengineering of Esterase Activity through Metabolic Flux-Based Modulation of Sialic Acid.
Mohit P Mathew, Elaine Tan, Jason W Labonte, Shivam Shah, Christopher T Saeui

Chembiochem· July 2017

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The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.
Rebecca F Alford, Andrew Leaver-Fay, Jeliazko R Jeliazkov, Matthew J O'Meara, Frank P DiMaio, Jason W Labonte

J Chem Theory Comput· June 2017

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Residue-centric modeling and design of saccharide and glycoconjugate structures.
Jason W Labonte, Jared Adolf-Bryfogle, William R Schief, Jeffrey J Gray

J Comput Chem· February 2017

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Structural Diversity in the Type IV Pili of Multidrug-resistant Acinetobacter.
Kurt H Piepenbrink, Erik Lillehoj, Christian M Harding, Jason W Labonte, Xiaotong Zuo

J Biol Chem· October 2016

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A Comprehensive, High-Resolution Map of a Gene's Fitness Landscape.
Elad Firnberg, Jason W Labonte, Jeffrey J Gray, Marc Ostermeier

Mol Biol Evol· May 2016

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Molecular Determinants for Protein Stabilization by Insertional Fusion to a Thermophilic Host Protein.
Brennal Pierre, Jason W Labonte, Tina Xiong, Edwin Aoraha, Asher Williams

Chembiochem· November 2015

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A comprehensive, high-resolution map of a gene's fitness landscape.
Elad Firnberg, Jason W Labonte, Jeffrey J Gray, Marc Ostermeier

Mol Biol Evol· June 2014

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Adding diverse noncanonical backbones to rosetta: enabling peptidomimetic design.
Kevin Drew, P Douglas Renfrew, Timothy W Craven, Glenn L Butterfoss, Fang-Chieh Chou, Jason W Labonte

PLoS One· March 2014

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Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20-27.
Krishna Praneeth Kilambi, Michael S Pacella, Jianqing Xu, Jason W Labonte, Justin R Porter

Proteins· December 2013

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NMR detection and study of hydrolysis of HNO-derived sulfinamides.
Gizem Keceli, Cathy D Moore, Jason W Labonte, John P Toscano

Biochemistry· October 2013

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Active site comparisons and catalytic mechanisms of the hot dog superfamily.
Jason W Labonte, Craig A Townsend

Chem Rev· March 2013

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Characterization of a fungal thioesterase having Claisen cyclase and deacetylase activities in melanin biosynthesis.
Anna L Vagstad, Eric A Hill, Jason W Labonte, Craig A Townsend

Chem Biol· December 2012

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Autoproteolytic activation of ThnT results in structural reorganization necessary for substrate binding and catalysis.
Andrew R Buller, Jason W Labonte, Michael F Freeman, Nathan T Wright, Joel F Schildbach

J Mol Biol· September 2012

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