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Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.6201-6212

2016

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Removal of lycopene substrate inhibition enables high carotenoid productivity in Yarrowia lipolytica

Nature communications, 2022-01, Vol.13 (1), p.572-572, Article 572

2022

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Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

Nature chemical biology, 2012-02, Vol.8 (3), p.294-300

2012

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Improvement of a synthetic live bacterial therapeutic for phenylketonuria with biosensor-enabled enzyme engineering

Nature communications, 2021-10, Vol.12 (1), p.6215-13, Article 6215

2021

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Sampling and energy evaluation challenges in ligand binding protein design

Protein science, 2017-12, Vol.26 (12), p.2426-2437

2017

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Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites

Nature communications, 2021-06, Vol.12 (1), p.3384-12, Article 3384

2021

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Multi-input chemical control of protein dimerization for programming graded cellular responses

Nature biotechnology, 2019-10, Vol.37 (10), p.1209-1216

2019

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Accurate de novo design of hyperstable constrained peptides

Nature (London), 2016-10, Vol.538 (7625), p.329-335

2016

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Engineering V‑Type Nerve Agents Detoxifying Enzymes Using Computationally Focused Libraries

ACS chemical biology, 2013-11, Vol.8 (11), p.2394-2403

2013

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A systematic approach for evaluating the role of surface-exposed loops in trypsin-like serine proteases applied to the 170 loop in coagulation factor VIIa

Scientific reports, 2022-03, Vol.12 (1), p.3747-3747, Article 3747

2022

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Overcoming an optimization plateau in the directed evolution of highly efficient nerve agent bioscavengers

Protein engineering, design and selection, 2017-04, Vol.30 (4), p.333-345

2017

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Computational design of environmental sensors for the potent opioid fentanyl

eLife, 2017-09, Vol.6

2017

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Structure-Based Computational Scanning of Chemical Modification Sites in Biologics

ACS omega, 2024-08, Vol.9 (34), p.36787-36794

2024

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Improving the Developability of an Antigen Binding Fragment by Aspartate Substitutions

Biochemistry (Easton), 2019-06, Vol.58 (24), p.2750-2759

2019

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New insights into substrate folding preference of plant OSCs

Science bulletin (Beijing), 2016-09, Vol.61 (18), p.1407-1412

2016

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Interaction between sodium dodecyl sulfate and membrane reconstituted aquaporins: A comparative study of spinach SoPIP2;1 and E. coli AqpZ

Biochimica et biophysica acta, 2011-10, Vol.1808 (10), p.2600-2607

2011

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Linear rate-equilibrium relations arising from ion channel-bilayer energetic coupling

Proceedings of the National Academy of Sciences - PNAS, 2011-08, Vol.108 (31), p.12717-12722

2011

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Optimizing selectivity of anion hydrophobic multimodal chromatography for purification of a single‐chain variable fragment

Engineering in life sciences, 2019-07, Vol.19 (7), p.490-501

2019

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Computational design of N-linked glycans for high throughput epitope profiling

Protein science, 2023-10, Vol.32 (10), p.e4726-e4726

2023

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Catalytic efficiencies of directly evolved phosphotriesterase variants with structurally different organophosphorus compounds in vitro

Archives of toxicology, 2016-11, Vol.90 (11), p.2711-2724

2016

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Computational redesign of metalloenzymes for catalyzing new reactions

Methods in molecular biology (Clifton, N.J.), 2014, Vol.1216, p.265

2014

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Phosphorus Binding Sites in Proteins: Structural Preorganization and Coordination

The journal of physical chemistry. B, 2014-02, Vol.118 (5), p.1207-1215

2014

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Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges

Structure (London), 2014-08, Vol.22 (8), p.1120-1139

2014

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Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold

Protein engineering, design and selection, 2018-10, Vol.31 (10), p.375-387

2018

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Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules

Removal of lycopene substrate inhibition enables high carotenoid productivity in Yarrowia lipolytica

Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

Improvement of a synthetic live bacterial therapeutic for phenylketonuria with biosensor-enabled enzyme engineering

Sampling and energy evaluation challenges in ligand binding protein design

Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites

Multi-input chemical control of protein dimerization for programming graded cellular responses

Accurate de novo design of hyperstable constrained peptides

Engineering V‑Type Nerve Agents Detoxifying Enzymes Using Computationally Focused Libraries

A systematic approach for evaluating the role of surface-exposed loops in trypsin-like serine proteases applied to the 170 loop in coagulation factor VIIa

Overcoming an optimization plateau in the directed evolution of highly efficient nerve agent bioscavengers

Computational design of environmental sensors for the potent opioid fentanyl

A factor VIIIa–mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice

Structure-Based Computational Scanning of Chemical Modification Sites in Biologics

Improving the Developability of an Antigen Binding Fragment by Aspartate Substitutions

New insights into substrate folding preference of plant OSCs

Interaction between sodium dodecyl sulfate and membrane reconstituted aquaporins: A comparative study of spinach SoPIP2;1 and E. coli AqpZ

Linear rate-equilibrium relations arising from ion channel-bilayer energetic coupling

Optimizing selectivity of anion hydrophobic multimodal chromatography for purification of a single‐chain variable fragment

Computational design of N-linked glycans for high throughput epitope profiling

Catalytic efficiencies of directly evolved phosphotriesterase variants with structurally different organophosphorus compounds in vitro

Computational redesign of metalloenzymes for catalyzing new reactions

Phosphorus Binding Sites in Proteins: Structural Preorganization and Coordination

Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges

Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold

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