Complete computational design of high-efficiency Kemp elimination enzymes.

Required files to run the classical molecular dynamics simulations, empirical valence bond (EVB) simulations performed to generate the data for the article: High-efficiency Kemp eliminases by complete computational design.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-12-27
DOI
https://doi.org/10.5281/zenodo.14563437
Citations
1
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
0.12
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article

Complete computational design of high-efficiency Kemp elimination enzymes.

1 citations
Zenodo (CERN European Organization for Nuclear Research)
Enzyme Structure and Function
0.12
article

Complete computational design of high-efficiency Kemp elimination enzymes.

article en
1 citations

Abstract

Required files to run the classical molecular dynamics simulations, empirical valence bond (EVB) simulations performed to generate the data for the article: High-efficiency Kemp eliminases by complete computational design.

Zenodo (CERN European Organization for Nuclear Research)
Uppsala University (SE), Georgia Institute of Technology (US), University of Debrecen (HU), Lund University (SE), Weizmann Institute of Science (IL)
Industry, innovation and infrastructure
Openalex Percentile: Top 56%
Enzyme Structure and Function
0.12
DOIOpen Access PDFOpenAlex
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