Concepedia

Computational Enzyme Discovery

Computational Enzyme Discovery is a methodological framework within biocatalyst discovery that employs computational techniques to identify and design enzymatic functions by predicting enzyme-substrate interactions, catalytic mechanisms, and protein structures from sequence or structural data.

121

Publications

9.7K

Citations

586

Authors

239

Institutions

Publications per year

2017–2026

60

Parents

Publications

121

Kemp elimination catalysts by computational enzyme design

Daniela Röthlisberger, Olga Khersonsky, Andrew M. Wollacott et al. · Nature · 2008 · 1.3K citations

, , +14

Using amphiphilic pseudo amino acid composition to predict enzyme subfamily classes

Kuo‐Chen Chou · Bioinformatics · 2004 · 1K citations · Full text

, , +17

The computer program LUDI: A new method for the de novo design of enzyme inhibitors

Hans-Joachim B�hm · Journal of Computer-Aided Molecular Design · 1992 · 845 citations

, , +15

Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy

Yinglu Cui, Yanchun Chen, Xinyue Liu et al. · ACS Catalysis · 2021 · 584 citations

, , +17

Rational assignment of key motifs for function guides in silico enzyme identification

Matthias Höhne, Sebastian Schätzle, Helge Jochens et al. · Nature Chemical Biology · 2010 · 369 citations

, , +17

1–5 of 121

Authors

586

  1. DB
    David Baker

    University of Washington, United States

    6 publications · 2.2K citations

    6

    h-index

  2. CD
    Costas D. Maranas

    Pennsylvania State University, United States

    5 publications · 353 citations

    5

    h-index

  3. SC
    Steven C. Almo

    Albert Einstein College of Medicine, United States

    4 publications · 137 citations

    4

    h-index

  4. UT
    Uwe T. Bornscheuer

    Universität Greifswald, Germany

    3 publications · 431 citations

    3

    h-index

  5. DR
    Daniela Röthlisberger

    Howard Hughes Medical Institute, United States

    3 publications · 1.9K citations

    3

    h-index

1–5 of 586

Institutions

239

  1. Howard Hughes Medical Institute

    Chevy Chase, United States

    6 h-index

    9 publications

    4.8K citations

  2. University of Washington

    Seattle, United States

    6 h-index

    18 publications

    8.6K citations

  3. Pennsylvania State University

    State College, United States

    5 h-index

    19 publications

    1.3K citations

  4. University of California, San Francisco

    San Francisco, United States

    5 h-index

    16 publications

    1K citations

  5. University of Manchester

    Manchester, United Kingdom

    4 h-index

    32 publications

    1.6K citations

  6. East China University of Science and Technology

    Shanghai, China

    4 h-index

    11 publications

    257 citations

  7. Weizmann Institute of Science

    Rehovot, Israel

    4 h-index

    8 publications

    3.4K citations

  8. University of California, Los Angeles

    Los Angeles, United States

    4 h-index

    8 publications

    3.6K citations

1–8 of 239

Venues

  1. ACS Catalysis

    9 publications · 987 citations

    9

    h-index

  2. Bioinformatics

    9 publications · 1.4K citations

    9

    h-index

  3. Journal of Chemical Information and Modeling

    JCIM · 8 publications · 276 citations

    8

    h-index

  4. Protein Science

    PS · 5 publications · 699 citations

    5

    h-index

  5. PLoS ONE

    3 publications · 92 citations

    3

    h-index

1–5