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A Pareto-optimal refinement method for protein design scaffolds

PloS one, 2013-04, Vol.8 (4), p.e59004-e59004

2013

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Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

PloS one, 2022-12, Vol.17 (12), p.e0275759

2022

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Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

PloS one, 2022-12, Vol.17 (12), p.e0275759

2022

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Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins

PLoS computational biology, 2024-03, Vol.20 (3), p.e1011939-e1011939

2024

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Recent Advances in Automated Structure-Based De Novo Drug Design

Journal of chemical information and modeling, 2024-03, Vol.64 (6), p.1794-1805

2024

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Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2

Cells (Basel, Switzerland), 2020-01, Vol.9 (1), p.136

2020

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Coupling methodology for thermal fluid-solid simulations through a full transient flight cycle

International journal of heat and mass transfer, 2023-03, Vol.202, p.123691, Article 123691

2023

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Web‐accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE)

Protein science, 2018-01, Vol.27 (1), p.259-268

2018

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Integrative model of the FSH receptor reveals the structural role of the flexible hinge region

Structure (London), 2022-10, Vol.30 (10), p.1424-1431.e3

2022

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Stability, convergence and optimization of interface treatments in weak and strong thermal fluid-structure interaction

International journal of thermal sciences, 2018-04, Vol.126, p.23-37

2018

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Protocols for Molecular Modeling with Rosetta3 and RosettaScripts

Biochemistry (Easton), 2016-08, Vol.55 (34), p.4748-4763

2016

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A single stable scheme for steady conjugate heat transfer problems

Journal of computational physics, 2019-10, Vol.394, p.491-502

2019

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A numerical predictive model for conjugate heat transfer with radiation

International journal of heat and mass transfer, 2020-10, Vol.160, p.120155, Article 120155

2020

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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1

Proceedings of the National Academy of Sciences - PNAS, 2021-03, Vol.118 (12)

2021

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Adaptive interface treatment for aerothermal coupling using a Discontinuous Galerkin method

International journal of thermal sciences, 2020-03, Vol.149, p.106208, Article 106208

2020

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Mono(2‐ethylhexyl) phthalate (MEHP) and mono(2‐ethyl‐5‐oxohexyl) phthalate (MEOHP) but not di(2‐ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator‐activated receptor γ

Rapid communications in mass spectrometry, 2019-05, Vol.33 (S1), p.75-85

2019

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Abstract 019: T Cell Recognition Of Isolevuglandin-adducted Proteins In Hypertension Is Mhc Class 1-restricted

Hypertension (Dallas, Tex. 1979), 2022-09, Vol.79 (Suppl_1)

2022

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A comparison of sugar indicators enables a universal high-throughput sugar-1-phosphate nucleotidyltransferase assay

Analytical biochemistry, 2008-06, Vol.377 (2), p.251-258

2008

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Rosetta and the Design of Ligand Binding Sites

Methods in molecular biology (Clifton, N.J.), 2016-01, Vol.1414, p.47

2016

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Efficient Sampling of Protein Loop Regions Using Conformational Hashing Complemented with Random Coordinate Descent

Journal of chemical theory and computation, 2021-01, Vol.17 (1), p.560-570

2021

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Identification of a ubiquitin-binding interface using Rosetta and DEER

Proceedings of the National Academy of Sciences - PNAS, 2018-01, Vol.115 (3), p.525-530

2018

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Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design

Biochemistry (Easton), 2021-03, Vol.60 (11), p.825-846

2021

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Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Nature communications, 2021-11, Vol.12 (1), p.6947-6947, Article 6947

2021

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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-[beta]-lactamase 1

Proceedings of the National Academy of Sciences - PNAS, 2021-03, Vol.118 (12), p.1

2021

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MEHP and MEOHP but not DEHP bind productively to the peroxisome proliferator-activated receptor γ

Rapid communications in mass spectrometry, 2019-01, Vol.33 (Suppl 1), p.75-85

2019

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A Pareto-optimal refinement method for protein design scaffolds

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins

Recent Advances in Automated Structure-Based De Novo Drug Design

Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2

Coupling methodology for thermal fluid-solid simulations through a full transient flight cycle

Web‐accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE)

Integrative model of the FSH receptor reveals the structural role of the flexible hinge region

Stability, convergence and optimization of interface treatments in weak and strong thermal fluid-structure interaction

Protocols for Molecular Modeling with Rosetta3 and RosettaScripts

A single stable scheme for steady conjugate heat transfer problems

A numerical predictive model for conjugate heat transfer with radiation

Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1

Adaptive interface treatment for aerothermal coupling using a Discontinuous Galerkin method

Mono(2‐ethylhexyl) phthalate (MEHP) and mono(2‐ethyl‐5‐oxohexyl) phthalate (MEOHP) but not di(2‐ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator‐activated receptor γ

Abstract 019: T Cell Recognition Of Isolevuglandin-adducted Proteins In Hypertension Is Mhc Class 1-restricted

A comparison of sugar indicators enables a universal high-throughput sugar-1-phosphate nucleotidyltransferase assay

Rosetta and the Design of Ligand Binding Sites

Efficient Sampling of Protein Loop Regions Using Conformational Hashing Complemented with Random Coordinate Descent

Identification of a ubiquitin-binding interface using Rosetta and DEER

Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Computationally designed peptide macrocycle inhibitors of New Delhi metallo-[beta]-lactamase 1

MEHP and MEOHP but not DEHP bind productively to the peroxisome proliferator-activated receptor γ

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