Concepedia

Computational Enzymology

Computational Enzymology is an academic discipline that employs computational methods, including molecular modeling, simulation, and bioinformatics, to investigate the structure, function, mechanism, and evolution of enzymes, thereby distinguishing itself from experimental enzymology by its reliance on in silico analysis to predict and interpret catalytic phenomena.

60

Publications

2.9K

Citations

213

Authors

92

Institutions

Publications per year

2017–2026

26

Parents

Publications

60

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

DynaFit—A Software Package for Enzymology

Petr Kuzmič · Methods in enzymology on CD-ROM/Methods in enzymology · 2009 · 257 citations

, , +10

Computational Enzymatic Catalysis

Maria J. Ramos, Pedro Alexandrino Fernandes · Accounts of Chemical Research · 2008 · 171 citations

, , +17

Theoretical and experimental biology in one<br>—A symposium in honour of Professor Kuo-Chen Chou’s 50th anniversary and Professor Richard Giegé’s 40th anniversary of their scientific careers

Sheng‐Xiang Lin, Jacques Lapointe · Journal of Biomedical Science and Engineering · 2013 · 148 citations · Full text

, , +16

Rational design of nascent metalloenzymes

David E. Benson, Michael S. Wisz, Homme W. Hellinga · Proceedings of the National Academy of Sciences · 2000 · 113 citations

, , +17

1–5 of 60

Authors

213

  1. AJ
    Adrian J. Mulholland

    University of Bristol, United Kingdom

    3 publications · 168 citations

    3

    h-index

  2. PA
    Pedro Alexandrino Fernandes

    Universidade do Porto, Portugal

    2 publications · 193 citations

    2

    h-index

  3. RE
    Ralph E. Christoffersen

    University of Kansas, United States

    2 publications · 46 citations

    2

    h-index

  4. MK
    Masoud Kazemi

    Stockholm University, Sweden

    2 publications · 124 citations

    2

    h-index

  5. ZY
    Zhongyue Yang

    University of California, Los Angeles, United States

    2 publications · 70 citations

    2

    h-index

1–5 of 213

Institutions

92

  1. Masaryk University

    Brno, Czechia

    3 h-index

    12 publications

    538 citations

  2. University of Bristol

    Bristol, United Kingdom

    3 h-index

    5 publications

    378 citations

  3. Rede de Química e Tecnologia

    Porto, Portugal

    3 h-index

    8 publications

    636 citations

  4. Slovak Academy of Sciences

    Bratislava, Slovakia

    2 h-index

    3 publications

    75 citations

  5. Universidade do Porto

    Porto, Portugal

    2 h-index

    6 publications

    294 citations

  6. University of Colorado Boulder

    Boulder, United States

    2 h-index

    2 publications

    46 citations

  7. Rutgers, The State University of New Jersey

    New Brunswick, United States

    2 h-index

    11 publications

    250 citations

  8. Science for Life Laboratory

    Stockholm, Sweden

    2 h-index

    4 publications

    268 citations

1–8 of 92

Venues

  1. Journal of Molecular Graphics and Modelling

    4 publications · 142 citations

    4

    h-index

  2. Methods in enzymology on CD-ROM/Methods in enzymology

    Book series · 3 publications · 291 citations

    3

    h-index

  3. ACS Catalysis

    3 publications · 151 citations

    3

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 3 publications · 98 citations

    3

    h-index

  5. Journal of Molecular Structure THEOCHEM

    2 publications · 29 citations

    2

    h-index

1–5