Evidence map›Paper›PMID 37828731›Full record

ReviewJournal of chemical theory and computation2023

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering.

Zhongyue J Yang, Qianzhen Shao, Yaoyukun Jiang, Christopher Jurich, Xinchun Ran, Reecan J Juarez, Bailu Yan, Sebastian L Stull, Anvita Gollu, Ning Ding

Open access · greenAbstract readReview
In one paragraph

Review in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.

0numbers the graph read from it
0cells of the map it votes in
14citing papers in PubMed
2.8field-weighted citation impact, top 9% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

14 citing papers in PubMed, 18 citations in OpenAlex.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Spirocyclic β-lactone secondary metabolites modulate spliceosome function.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  6. Article
  7. Linker-mediated domain separation enhances cold adaptation in cellulases.Protein science : a publication of the Protein Society · 2025
    Article
  8. Article
  9. Article
  10. Computational Studies of Enzymes for C-F Bond Degradation and Functionalization.Chemphyschem : a European journal of chemical physics and physical chemistry · 2025
    Review
  11. Article
  12. Review
  13. Article
  14. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors at 1 institution in 1 country.

Zhongyue J YangDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0003-0395-6617
Qianzhen ShaoDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0002-7787-0966
Yaoyukun JiangDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0002-6424-2231
Christopher JurichDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Xinchun RanDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Reecan J JuarezDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Bailu YanDepartment of Biostatistics, Vanderbilt University, Nashville, Tennessee 37205, United States.ORCID 0000-0002-3718-3117
Sebastian L StullDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Anvita GolluDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Ning DingDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Vanderbilt University · US

Funding

MOLECULAR BIOPHYSICS TRAINING PROGRAM AT VANDERBILTT32GM008320 · NIGMS · VANDERBILT UNIVERSITY · PI CHAZIN, WALTER J. · 1989 to 2023
$7.9M
Chemistry-Biology Interface Training GrantT32GM065086 · NIGMS · VANDERBILT UNIVERSITY · PI BACHMANN, BRIAN O, SULIKOWSKI, GARY ALLEN · 2002 to 2022
$7.0M
Developing Computational Tools for Predicting and Designing Function-Enhancing Enzyme VariantsR35GM146982 · NIGMS · VANDERBILT UNIVERSITY · PI Zhongyue Yang · 2022 to 2026
$1.8M
NIGMS NIH HHS R35 GM146982NIGMS NIH HHS T32 GM008320NIGMS NIH HHS T32 GM065086
6 · The paper itself

Abstract

Protein engineering holds immense promise in shaping the future of biomedicine and biotechnology. This Review focuses on our ongoing development of Mutexa, a computational ecosystem designed to enable "intelligent protein engineering". In this vision, researchers will seamlessly acquire sequences of protein variants with desired functions as biocatalysts, therapeutic peptides, and diagnostic proteins through a finely-tuned computational machine, akin to Amazon Alexa's role as a versatile virtual assistant. The technical foundation of Mutexa has been established through the development of a database that combines and relates enzyme structures and their respective functions (e.g., IntEnzyDB), workflow software packages that enable high-throughput protein modeling (e.g., EnzyHTP and LassoHTP), and scoring functions that map the sequence-structure-function relationship of proteins (e.g., EnzyKR and DeepLasso). We will showcase the applications of these tools in benchmarking the convergence conditions of enzyme functional descriptors across mutants, investigating protein electrostatics and cavity distributions in SAM-dependent methyltransferases, and understanding the role of nonelectrostatic dynamic effects in enzyme catalysis. Finally, we will conclude by addressing the future steps and fundamental challenges in our endeavor to develop new Mutexa applications that assist the identification of beneficial mutants in protein engineering.

Indexed as

Protein EngineeringProteinsProteins

Identifiers

PMID37828731
PMCPMC10653112
OpenAlexW4387600363

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.