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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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Computational Enzyme Design

Angewandte Chemie (International ed.), 2013-05, Vol.52 (22), p.5700-5725

International ed. in English, 2013

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Engineering an allosteric transcription factor to respond to new ligands

Nature methods, 2016-02, Vol.13 (2), p.177

2016

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Scoring functions for protein–protein interactions

Current opinion in structural biology, 2013-12, Vol.23 (6), p.862-867

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-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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Better together: Elements of successful scientific software development in a distributed collaborative community

PLoS computational biology, 2020-05, Vol.16 (5), p.e1007507-e1007507

2020

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Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation

The Journal of biological chemistry, 2016-07, Vol.291 (27), p.14095-14108

2016

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Enhancing the Latent Nucleotide Triphosphate Flexibility of the Glucose-1-phosphate Thymidylyltransferase RmlA

The Journal of biological chemistry, 2007-06, Vol.282 (23), p.16942-16947

2007

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Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution

The Journal of biological chemistry, 2011-04, Vol.286 (15), p.13235-13243

2011

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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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in vitro Characterization of Polyene Glycosyltransferases AmphDI and NysDI

Chembiochem : a European journal of chemical biology, 2008-10, Vol.9 (15), p.2506-2514

2008

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Targeted Chemical Wedges Reveal the Role of Allosteric DNA Modulation in Protein−DNA Assembly

ACS chemical biology, 2008-04, Vol.3 (4), p.220-229

2008

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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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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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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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Temperature-Sensitive Protein-DNA Dimerizers

Proceedings of the National Academy of Sciences - PNAS, 2005-04, Vol.102 (14), p.5008-5013

2005

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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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A Pareto-optimal refinement method for protein design scaffolds

Computational Enzyme Design

Engineering an allosteric transcription factor to respond to new ligands

Scoring functions for protein–protein interactions

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

Better together: Elements of successful scientific software development in a distributed collaborative community

Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation

Enhancing the Latent Nucleotide Triphosphate Flexibility of the Glucose-1-phosphate Thymidylyltransferase RmlA

Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution

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

in vitro Characterization of Polyene Glycosyltransferases AmphDI and NysDI

Targeted Chemical Wedges Reveal the Role of Allosteric DNA Modulation in Protein−DNA Assembly

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

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

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

Temperature-Sensitive Protein-DNA Dimerizers

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

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