Evidence map›Paper›PMID 39792627›Full record

ArticleJournal of the American Chemical Society2025

Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the S

Natalia Gelfand, Vojtech Orel, Wenqiang Cui, Jiří Damborský, Chenglong Li, Zbyněk Prokop, Wen Jun Xie, Arieh Warshel

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
–field-weighted citation impact
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

8 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Exploring evolutionary trajectories of drug resistance.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  6. Review
  7. Article
  8. 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

8 authors.

Natalia GelfandDepartment of Chemistry, University of Southern California, Los Angeles, California 90089, United States.ORCID 0000-0002-3034-0028
Vojtech OrelLoschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic.
Wenqiang CuiDepartment of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States.ORCID 0000-0001-9913-3118
Jiří DamborskýLoschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic.ORCID 0000-0002-7848-8216
Chenglong LiDepartment of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States.ORCID 0000-0001-9460-3168
Zbyněk ProkopLoschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic.ORCID 0000-0001-9358-4081
Wen Jun XieDepartment of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, United States.ORCID 0000-0002-3982-9305
Arieh WarshelDepartment of Chemistry, University of Southern California, Los Angeles, California 90089, United States.ORCID 0000-0001-7971-5401

Funding

Multiscale Simulations of Biological Systems and ProcessesR35GM122472 · NIGMS · UNIVERSITY OF SOUTHERN CALIFORNIA · PI ARIEH WARSHEL · 2017 to 2026
$5.0M
NIGMS NIH HHS R35 GM122472
6 · The paper itself

Abstract

Generative artificial intelligence (AI) models trained on natural protein sequences have been used to design functional enzymes. However, their ability to predict individual reaction steps in enzyme catalysis remains unclear, limiting the potential use of sequence information for enzyme engineering. In this study, we demonstrated that sequence information can predict the rate of the S

Indexed as

Artificial IntelligenceHydrolasesKineticsMolecular Dynamics SimulationProtein Engineeringhaloalkane dehalogenaseHydrolases

Identifiers

PMID39792627
PMCPMC12445222

What OpenQuestion holds

Textmetadata
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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.